200,000+ products from a single source!
sales@angenechem.com
147920-12-5 | 1H-Indole-6-carbonitrile, 2-[[4-[3-[(1-methylethyl)amino]-2-pyridinyl]-1-piperazinyl]carbonyl]-
CAS No: 147920-12-5 Catalog No: AG001FAU MDL No:
Product Description
Catalog Number:
AG001FAU
Chemical Name:
1H-Indole-6-carbonitrile, 2-[[4-[3-[(1-methylethyl)amino]-2-pyridinyl]-1-piperazinyl]carbonyl]-
CAS Number:
147920-12-5
Molecular Formula:
C22H24N6O
Molecular Weight:
388.4656
IUPAC Name:
2-[4-[3-(propan-2-ylamino)pyridin-2-yl]piperazine-1-carbonyl]-1H-indole-6-carbonitrile
InChI:
InChI=1S/C22H24N6O/c1-15(2)25-18-4-3-7-24-21(18)27-8-10-28(11-9-27)22(29)20-13-17-6-5-16(14-23)12-19(17)26-20/h3-7,12-13,15,25-26H,8-11H2,1-2H3
InChI Key:
UPIYXGWFALWDAQ-UHFFFAOYSA-N
SMILES:
N#Cc1ccc2c(c1)[nH]c(c2)C(=O)N1CCN(CC1)c1ncccc1NC(C)C
Properties
Complexity:
622
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
388.201g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
388.475g/mol
Monoisotopic Mass:
388.201g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
88A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
Literature
| Title | Journal |
|---|---|
| Discovery of TSAO derivatives with an unusual HIV-1 activity/resistance profile. | Antiviral research 20060801 |
| Bis(heteroaryl)piperazine (BHAP) reverse transcriptase inhibitors: structure-activity relationships of novel substituted indole analogues and the identification of 1-[(5-methanesulfonamido-1H-indol-2-yl)-carbonyl]-4-[3- [(1-methylethyl)amino]-pyridinyl]piperazine monomethanesulfonate (U-90152S), a second-generation clinical candidate. | Journal of medicinal chemistry 19930514 |
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.