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Home > Indoles and Oxindole > 827317-05-5
827317-05-5 | 1H-Indole-6-carboxamide, 2-(1H-pyrazol-3-yl)-N-(4-pyridinylmethyl)-
CAS No: 827317-05-5 Catalog No: AG00501J MDL No:
Product Description
Catalog Number:
AG00501J
Chemical Name:
1H-Indole-6-carboxamide, 2-(1H-pyrazol-3-yl)-N-(4-pyridinylmethyl)-
CAS Number:
827317-05-5
Molecular Formula:
C18H15N5O
Molecular Weight:
317.3446
IUPAC Name:
2-(1H-pyrazol-5-yl)-N-(pyridin-4-ylmethyl)-1H-indole-6-carboxamide
InChI:
InChI=1S/C18H15N5O/c24-18(20-11-12-3-6-19-7-4-12)14-2-1-13-9-17(22-16(13)10-14)15-5-8-21-23-15/h1-10,22H,11H2,(H,20,24)(H,21,23)
InChI Key:
QVAILOADAIOXPM-UHFFFAOYSA-N
SMILES:
O=C(c1ccc2c(c1)[nH]c(c2)c1n[nH]cc1)NCc1ccncc1
Properties
Complexity:
439
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
317.128g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
317.352g/mol
Monoisotopic Mass:
317.128g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
86.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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