4-amino-3-(4-phenoxybenzoyl)-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile

C21H14N4O2 — CID 155366990

IUPAC4-amino-3-(4-phenoxybenzoyl)-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile
SMILESN#Cc1cnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3)c2c1N
InChIInChI=1S/C21H14N4O2/c22-10-14-11-24-21-18(19(14)23)17(12-25-21)20(26)13-6-8-16(9-7-13)27-15-4-2-1-3-5-15/h1-9,11-12H,(H3,23,24,25)
InChIKeyPPRWGOOFUSULKR-UHFFFAOYSA-N
MW354.37 g/mol
LogP4.04
Rot. Bonds4

About 4-amino-3-(4-phenoxybenzoyl)-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile

4-amino-3-(4-phenoxybenzoyl)-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile (PubChem CID 155366990) has the molecular formula C21H14N4O2 and a molecular weight of 354.37 g/mol. Its IUPAC name is 4-amino-3-(4-phenoxybenzoyl)-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile.

Molecular Properties

Compound Name4-amino-3-(4-phenoxybenzoyl)-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile
PubChem CID155366990
Molecular FormulaC21H14N4O2
Molecular Weight354.37 g/mol
Exact Mass354.11
IUPAC Name4-amino-3-(4-phenoxybenzoyl)-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile
SMILESN#Cc1cnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3)c2c1N
InChIInChI=1S/C21H14N4O2/c22-10-14-11-24-21-18(19(14)23)17(12-25-21)20(26)13-6-8-16(9-7-13)27-15-4-2-1-3-5-15/h1-9,11-12H,(H3,23,24,25)
InChIKeyPPRWGOOFUSULKR-UHFFFAOYSA-N
XLogP4.04
TPSA104.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.37
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-3-(2,6-dimethyl-4-phenoxybenzoyl)-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile
CID 155367078
4-amino-3-[2-chloro-4-(4-fluorophenoxy)benzoyl]-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile
CID 155366973
[4-(4-chlorophenoxy)phenyl]-(4-chloro-7H-pyrrolo[2,3-d]pyrimidin-5-yl)methanone
CID 134283436
(4-amino-5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-[4-(2-fluorophenoxy)-2-methylphenyl]methanone
CID 155366992
(4-amino-1H-pyrrolo[2,3-b]pyridin-3-yl)-(2,6-difluoro-4-phenoxyphenyl)methanone
CID 155366962
2-[5-fluoro-4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-5-phenoxybenzonitrile
CID 164830555
oxiran-2-yl-[2-[[[5-(4-phenoxybenzoyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]methyl]pyrrolidin-1-yl]methanone
CID 134282866
1-[3-[[5-(4-phenoxybenzoyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one
CID 134282907
2-bromo-1-[2-[[[5-(4-phenoxybenzoyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]methyl]piperidin-1-yl]ethanone
CID 134283021
[4-[[(3R,7S)-7-[(1R)-1-hydroxyethyl]oxepan-3-yl]amino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-(4-phenoxyphenyl)methanone
CID 134296346
N-[3-(4-amino-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)phenyl]-3-phenoxybenzenesulfonamide
CID 67219545
methyl 3-[3-[[5-(4-phenoxybenzoyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidine-1-carbonyl]oxirane-2-carboxylate
CID 134283040

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(4-phenoxybenzoyl)-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile?
The IUPAC name of 4-amino-3-(4-phenoxybenzoyl)-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile (CID 155366990) is 4-amino-3-(4-phenoxybenzoyl)-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile.
What is the SMILES notation for 4-amino-3-(4-phenoxybenzoyl)-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile?
The canonical SMILES for 4-amino-3-(4-phenoxybenzoyl)-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile is N#Cc1cnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3)c2c1N.
What is the InChIKey of 4-amino-3-(4-phenoxybenzoyl)-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile?
The InChIKey is PPRWGOOFUSULKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N4O2/c22-10-14-11-24-21-18(19(14)23)17(12-25-21)20(26)13-6-8-16(9-7-13)27-15-4-2-1-3-5-15/h1-9,11-12H,(H3,23,24,25).
What are the key properties of 4-amino-3-(4-phenoxybenzoyl)-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile?
4-amino-3-(4-phenoxybenzoyl)-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile has a molecular weight of 354.37 g/mol, XLogP of 4.04, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(4-phenoxybenzoyl)-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile is sourced from PubChem (CID 155366990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).