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

C26H20ClFN4O2S — CID 162686979

IUPACN-[4-[3-(5-chlorothiophen-2-yl)-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-c2ccc(Cl)s2)ccn1)c1ccc(F)cc1
InChIInChI=1S/C26H20ClFN4O2S/c1-14(15-3-5-17(28)6-4-15)25(33)31-21-13-16(9-11-29-21)24-23(19-7-8-20(27)35-19)22-18(30-24)10-12-32(2)26(22)34/h3-14,30H,1-2H3,(H,29,31,33)
InChIKeyLDHDORYQIJLGSC-UHFFFAOYSA-N
MW506.99 g/mol
LogP6.19
Rot. Bonds5

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

N-[4-[3-(5-chlorothiophen-2-yl)-5-methyl-4-oxo-1H-pyrrolo[3,2-c]pyridin-2-yl]-2-pyridinyl]-2-(4-fluorophenyl)propanamide (PubChem CID 162686979) has the molecular formula C26H20ClFN4O2S and a molecular weight of 506.99 g/mol. Its IUPAC name is N-[4-[3-(5-chlorothiophen-2-yl)-5-methyl-4-oxo-1H-pyrrolo[3,2-c]pyridin-2-yl]-2-pyridinyl]-2-(4-fluorophenyl)propanamide.

Molecular Properties

Compound NameN-[4-[3-(5-chlorothiophen-2-yl)-5-methyl-4-oxo-1H-pyrrolo[3,2-c]pyridin-2-yl]-2-pyridinyl]-2-(4-fluorophenyl)propanamide
PubChem CID162686979
Molecular FormulaC26H20ClFN4O2S
Molecular Weight506.99 g/mol
Exact Mass506.10
IUPAC NameN-[4-[3-(5-chlorothiophen-2-yl)-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-c2ccc(Cl)s2)ccn1)c1ccc(F)cc1
InChIInChI=1S/C26H20ClFN4O2S/c1-14(15-3-5-17(28)6-4-15)25(33)31-21-13-16(9-11-29-21)24-23(19-7-8-20(27)35-19)22-18(30-24)10-12-32(2)26(22)34/h3-14,30H,1-2H3,(H,29,31,33)
InChIKeyLDHDORYQIJLGSC-UHFFFAOYSA-N
XLogP6.19
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.99
LogP ≤ 56.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(5-chlorothiophen-2-yl)-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-(5-chlorothiophen-2-yl)-5-methyl-4-oxo-1H-pyrrolo[3,2-c]pyridin-2-yl]-2-pyridinyl]-2-(4-fluorophenyl)propanamide (CID 162686979) is N-[4-[3-(5-chlorothiophen-2-yl)-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-(5-chlorothiophen-2-yl)-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-(5-chlorothiophen-2-yl)-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-c2ccc(Cl)s2)ccn1)c1ccc(F)cc1.
What is the InChIKey of N-[4-[3-(5-chlorothiophen-2-yl)-5-methyl-4-oxo-1H-pyrrolo[3,2-c]pyridin-2-yl]-2-pyridinyl]-2-(4-fluorophenyl)propanamide?
The InChIKey is LDHDORYQIJLGSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20ClFN4O2S/c1-14(15-3-5-17(28)6-4-15)25(33)31-21-13-16(9-11-29-21)24-23(19-7-8-20(27)35-19)22-18(30-24)10-12-32(2)26(22)34/h3-14,30H,1-2H3,(H,29,31,33).
What are the key properties of N-[4-[3-(5-chlorothiophen-2-yl)-5-methyl-4-oxo-1H-pyrrolo[3,2-c]pyridin-2-yl]-2-pyridinyl]-2-(4-fluorophenyl)propanamide?
N-[4-[3-(5-chlorothiophen-2-yl)-5-methyl-4-oxo-1H-pyrrolo[3,2-c]pyridin-2-yl]-2-pyridinyl]-2-(4-fluorophenyl)propanamide has a molecular weight of 506.99 g/mol, XLogP of 6.19, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(5-chlorothiophen-2-yl)-5-methyl-4-oxo-1H-pyrrolo[3,2-c]pyridin-2-yl]-2-pyridinyl]-2-(4-fluorophenyl)propanamide is sourced from PubChem (CID 162686979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).