5-chloro-N-[(3-cyano-4-fluorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide

C16H10ClFN4O — CID 171679463

IUPAC5-chloro-N-[(3-cyano-4-fluorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
SMILESN#Cc1cc(CNC(=O)c2c[nH]c3ncc(Cl)cc23)ccc1F
InChIInChI=1S/C16H10ClFN4O/c17-11-4-12-13(8-21-15(12)20-7-11)16(23)22-6-9-1-2-14(18)10(3-9)5-19/h1-4,7-8H,6H2,(H,20,21)(H,22,23)
InChIKeyQOKBZHLRFFRZOA-UHFFFAOYSA-N
MW328.73 g/mol
LogP3.16
Rot. Bonds3

About 5-chloro-N-[(3-cyano-4-fluorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide

5-chloro-N-[(3-cyano-4-fluorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide (PubChem CID 171679463) has the molecular formula C16H10ClFN4O and a molecular weight of 328.73 g/mol. Its IUPAC name is 5-chloro-N-[(3-cyano-4-fluorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(3-cyano-4-fluorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
PubChem CID171679463
Molecular FormulaC16H10ClFN4O
Molecular Weight328.73 g/mol
Exact Mass328.05
IUPAC Name5-chloro-N-[(3-cyano-4-fluorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
SMILESN#Cc1cc(CNC(=O)c2c[nH]c3ncc(Cl)cc23)ccc1F
InChIInChI=1S/C16H10ClFN4O/c17-11-4-12-13(8-21-15(12)20-7-11)16(23)22-6-9-1-2-14(18)10(3-9)5-19/h1-4,7-8H,6H2,(H,20,21)(H,22,23)
InChIKeyQOKBZHLRFFRZOA-UHFFFAOYSA-N
XLogP3.16
TPSA81.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.73
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-chloro-N-[(3-cyano-4-fluorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide with MolForge

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Related Compounds

N-[(4-fluorophenyl)methyl]-5-[(2-phenylacetyl)amino]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 11384085
4-chloro-N-[(3,4-difluorophenyl)methyl]pyridine-3-carboxamide
CID 81227434
5-chloro-N-[(4-methoxyphenyl)methyl]-1H-indole-3-carboxamide
CID 113205803
6-bromo-N-[(4-chlorophenyl)methyl]-4-oxo-1H-1,7-naphthyridine-3-carboxamide
CID 20583233
N-[(4-cyanophenyl)methyl]-1H-indole-3-carboxamide
CID 60919239
5,6-dichloro-N-[(3-chloro-4-fluorophenyl)methyl]pyridine-3-carboxamide
CID 62537774
2-bromo-N-[(4-chlorophenyl)methyl]-8-oxo-5H-pyrido[3,2-d]pyrimidine-7-carboxamide
CID 22722030
2-amino-5-chloro-N-[(3-chloro-4-fluorophenyl)methyl]pyridine-4-carboxamide
CID 114923313
(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-(4-chloro-2-fluorophenyl)methanone
CID 58086773
7-chloro-4-oxo-N-(pyridin-4-ylmethyl)-1H-quinoline-3-carboxamide
CID 39042088
N-[(4-chlorophenyl)methyl]-6-methoxy-1H-indole-3-carboxamide
CID 113206537
(3-amino-6-chloro-2-fluorophenyl)-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 68669752

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(3-cyano-4-fluorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?
The IUPAC name of 5-chloro-N-[(3-cyano-4-fluorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide (CID 171679463) is 5-chloro-N-[(3-cyano-4-fluorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-N-[(3-cyano-4-fluorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-N-[(3-cyano-4-fluorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide is N#Cc1cc(CNC(=O)c2c[nH]c3ncc(Cl)cc23)ccc1F.
What is the InChIKey of 5-chloro-N-[(3-cyano-4-fluorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?
The InChIKey is QOKBZHLRFFRZOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClFN4O/c17-11-4-12-13(8-21-15(12)20-7-11)16(23)22-6-9-1-2-14(18)10(3-9)5-19/h1-4,7-8H,6H2,(H,20,21)(H,22,23).
What are the key properties of 5-chloro-N-[(3-cyano-4-fluorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?
5-chloro-N-[(3-cyano-4-fluorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide has a molecular weight of 328.73 g/mol, XLogP of 3.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(3-cyano-4-fluorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 171679463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).