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Home > Indoles and Oxindole > 827317-81-7
827317-81-7 | 1H-Indole-4-carboxamide, 2-(1H-pyrazol-3-yl)-N-[2-(2-pyridinyl)ethyl]-
CAS No: 827317-81-7 Catalog No: AG004V32 MDL No:
Product Description
Catalog Number:
AG004V32
Chemical Name:
1H-Indole-4-carboxamide, 2-(1H-pyrazol-3-yl)-N-[2-(2-pyridinyl)ethyl]-
CAS Number:
827317-81-7
Molecular Formula:
C19H17N5O
Molecular Weight:
331.3712
IUPAC Name:
2-(1H-pyrazol-5-yl)-N-(2-pyridin-2-ylethyl)-1H-indole-4-carboxamide
InChI:
InChI=1S/C19H17N5O/c25-19(21-10-7-13-4-1-2-9-20-13)14-5-3-6-16-15(14)12-18(23-16)17-8-11-22-24-17/h1-6,8-9,11-12,23H,7,10H2,(H,21,25)(H,22,24)
InChI Key:
YCDCEDDMCNOKCW-UHFFFAOYSA-N
SMILES:
O=C(c1cccc2c1cc([nH]2)c1n[nH]cc1)NCCc1ccccn1
Properties
Complexity:
459
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
331.143g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
331.379g/mol
Monoisotopic Mass:
331.143g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
86.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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