N-[4-[3-(2-chlorophenyl)-5-methyl-4-oxo-1H-pyrrolo[3,2-c]pyridin-2-yl]-2-pyridinyl]-2-(4-fluorophenyl)propanamide

C28H22ClFN4O2 — CID 162687194

IUPACN-[4-[3-(2-chlorophenyl)-5-methyl-4-oxo-1H-pyrrolo[3,2-c]pyridin-2-yl]-2-pyridinyl]-2-(4-fluorophenyl)propanamide
SMILESCC(C(=O)Nc1cc(-c2[nH]c3ccn(C)c(=O)c3c2-c2ccccc2Cl)ccn1)c1ccc(F)cc1
InChIInChI=1S/C28H22ClFN4O2/c1-16(17-7-9-19(30)10-8-17)27(35)33-23-15-18(11-13-31-23)26-24(20-5-3-4-6-21(20)29)25-22(32-26)12-14-34(2)28(25)36/h3-16,32H,1-2H3,(H,31,33,35)
InChIKeyASSQRJJOLODGSX-UHFFFAOYSA-N
MW500.96 g/mol
LogP6.13
Rot. Bonds5

About N-[4-[3-(2-chlorophenyl)-5-methyl-4-oxo-1H-pyrrolo[3,2-c]pyridin-2-yl]-2-pyridinyl]-2-(4-fluorophenyl)propanamide

N-[4-[3-(2-chlorophenyl)-5-methyl-4-oxo-1H-pyrrolo[3,2-c]pyridin-2-yl]-2-pyridinyl]-2-(4-fluorophenyl)propanamide (PubChem CID 162687194) has the molecular formula C28H22ClFN4O2 and a molecular weight of 500.96 g/mol. Its IUPAC name is N-[4-[3-(2-chlorophenyl)-5-methyl-4-oxo-1H-pyrrolo[3,2-c]pyridin-2-yl]-2-pyridinyl]-2-(4-fluorophenyl)propanamide.

Molecular Properties

Compound NameN-[4-[3-(2-chlorophenyl)-5-methyl-4-oxo-1H-pyrrolo[3,2-c]pyridin-2-yl]-2-pyridinyl]-2-(4-fluorophenyl)propanamide
PubChem CID162687194
Molecular FormulaC28H22ClFN4O2
Molecular Weight500.96 g/mol
Exact Mass500.14
IUPAC NameN-[4-[3-(2-chlorophenyl)-5-methyl-4-oxo-1H-pyrrolo[3,2-c]pyridin-2-yl]-2-pyridinyl]-2-(4-fluorophenyl)propanamide
SMILESCC(C(=O)Nc1cc(-c2[nH]c3ccn(C)c(=O)c3c2-c2ccccc2Cl)ccn1)c1ccc(F)cc1
InChIInChI=1S/C28H22ClFN4O2/c1-16(17-7-9-19(30)10-8-17)27(35)33-23-15-18(11-13-31-23)26-24(20-5-3-4-6-21(20)29)25-22(32-26)12-14-34(2)28(25)36/h3-16,32H,1-2H3,(H,31,33,35)
InChIKeyASSQRJJOLODGSX-UHFFFAOYSA-N
XLogP6.13
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.96
LogP ≤ 56.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-fluorophenyl)-N-[4-[3-(4-hydroxyphenyl)-5-methyl-4-oxo-1H-pyrrolo[3,2-c]pyridin-2-yl]-2-pyridinyl]propanamide
CID 162687217
2-(4-fluorophenyl)-N-[4-[3-(3-hydroxyphenyl)-5-methyl-4-oxo-1H-pyrrolo[3,2-c]pyridin-2-yl]-2-pyridinyl]propanamide
CID 162686978
(2S)-2-(4-fluorophenyl)-N-[4-[5-methyl-4-oxo-3-phenyl-7-(2,2,2-trifluoroethyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-2-pyridinyl]propanamide
CID 162687044
(2S)-N-[4-(5-methyl-4-oxo-3-phenyl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-2-yl)-2-pyridinyl]-2-pyridin-4-ylpropanamide
CID 162687013
2-(4-fluorophenyl)-N-[4-(5-methyl-4-oxo-1H-pyrrolo[3,2-c]pyridin-2-yl)-2-pyridinyl]acetamide
CID 162687242
2-(4-fluorophenyl)-3-oxo-3-[[4-(3-pyrimidin-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-2-pyridinyl]amino]propanoic acid
CID 170305254
(2R)-4,4-difluoro-2-(4-fluorophenyl)-N-[4-(5-methyl-4-oxo-3-phenyl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-2-yl)-2-pyridinyl]butanamide
CID 162687125
N-[4-(5,7-dimethyl-4-oxo-3-phenyl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-2-yl)-2-pyridinyl]-4,4-difluoro-2-(4-fluorophenyl)butanamide
CID 162687222
(2S)-N-[4-(4-fluoro-3-methoxyphenyl)-2-pyridinyl]-2-phenylpropanamide
CID 174678732
(2R)-4,4-difluoro-2-(4-fluorophenyl)-N-[4-(6-methoxy-3-pyridin-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-2-pyridinyl]butanamide
CID 170425628
(2R)-4,4,4-trifluoro-2-(4-fluorophenyl)-N-[4-(7-pyridin-2-yl-5H-pyrrolo[2,3-b]pyrazin-6-yl)-2-pyridinyl]butanamide
CID 162687276
N-[4-(3-anilino-5,7-dimethyl-4-oxo-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-2-yl)-2-pyridinyl]-4,4-difluoro-2-(4-fluorophenyl)butanamide
CID 162686847

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(2-chlorophenyl)-5-methyl-4-oxo-1H-pyrrolo[3,2-c]pyridin-2-yl]-2-pyridinyl]-2-(4-fluorophenyl)propanamide?
The IUPAC name of N-[4-[3-(2-chlorophenyl)-5-methyl-4-oxo-1H-pyrrolo[3,2-c]pyridin-2-yl]-2-pyridinyl]-2-(4-fluorophenyl)propanamide (CID 162687194) is N-[4-[3-(2-chlorophenyl)-5-methyl-4-oxo-1H-pyrrolo[3,2-c]pyridin-2-yl]-2-pyridinyl]-2-(4-fluorophenyl)propanamide.
What is the SMILES notation for N-[4-[3-(2-chlorophenyl)-5-methyl-4-oxo-1H-pyrrolo[3,2-c]pyridin-2-yl]-2-pyridinyl]-2-(4-fluorophenyl)propanamide?
The canonical SMILES for N-[4-[3-(2-chlorophenyl)-5-methyl-4-oxo-1H-pyrrolo[3,2-c]pyridin-2-yl]-2-pyridinyl]-2-(4-fluorophenyl)propanamide is CC(C(=O)Nc1cc(-c2[nH]c3ccn(C)c(=O)c3c2-c2ccccc2Cl)ccn1)c1ccc(F)cc1.
What is the InChIKey of N-[4-[3-(2-chlorophenyl)-5-methyl-4-oxo-1H-pyrrolo[3,2-c]pyridin-2-yl]-2-pyridinyl]-2-(4-fluorophenyl)propanamide?
The InChIKey is ASSQRJJOLODGSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22ClFN4O2/c1-16(17-7-9-19(30)10-8-17)27(35)33-23-15-18(11-13-31-23)26-24(20-5-3-4-6-21(20)29)25-22(32-26)12-14-34(2)28(25)36/h3-16,32H,1-2H3,(H,31,33,35).
What are the key properties of N-[4-[3-(2-chlorophenyl)-5-methyl-4-oxo-1H-pyrrolo[3,2-c]pyridin-2-yl]-2-pyridinyl]-2-(4-fluorophenyl)propanamide?
N-[4-[3-(2-chlorophenyl)-5-methyl-4-oxo-1H-pyrrolo[3,2-c]pyridin-2-yl]-2-pyridinyl]-2-(4-fluorophenyl)propanamide has a molecular weight of 500.96 g/mol, XLogP of 6.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(2-chlorophenyl)-5-methyl-4-oxo-1H-pyrrolo[3,2-c]pyridin-2-yl]-2-pyridinyl]-2-(4-fluorophenyl)propanamide is sourced from PubChem (CID 162687194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).