3-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)imidazo[4,5-b]pyridine-6-carboxamide

C18H19N5O3S — CID 75450999

IUPAC3-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)imidazo[4,5-b]pyridine-6-carboxamide
SMILESCn1cnc2cc(C(=O)Nc3ccc(S(=O)(=O)N4CCCC4)cc3)cnc21
InChIInChI=1S/C18H19N5O3S/c1-22-12-20-16-10-13(11-19-17(16)22)18(24)21-14-4-6-15(7-5-14)27(25,26)23-8-2-3-9-23/h4-7,10-12H,2-3,8-9H2,1H3,(H,21,24)
InChIKeyAQQAXKFPYWPBDV-UHFFFAOYSA-N
MW385.45 g/mol
LogP2.01
Rot. Bonds4

About 3-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)imidazo[4,5-b]pyridine-6-carboxamide

3-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)imidazo[4,5-b]pyridine-6-carboxamide (PubChem CID 75450999) has the molecular formula C18H19N5O3S and a molecular weight of 385.45 g/mol. Its IUPAC name is 3-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)imidazo[4,5-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)imidazo[4,5-b]pyridine-6-carboxamide
PubChem CID75450999
Molecular FormulaC18H19N5O3S
Molecular Weight385.45 g/mol
Exact Mass385.12
IUPAC Name3-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)imidazo[4,5-b]pyridine-6-carboxamide
SMILESCn1cnc2cc(C(=O)Nc3ccc(S(=O)(=O)N4CCCC4)cc3)cnc21
InChIInChI=1S/C18H19N5O3S/c1-22-12-20-16-10-13(11-19-17(16)22)18(24)21-14-4-6-15(7-5-14)27(25,26)23-8-2-3-9-23/h4-7,10-12H,2-3,8-9H2,1H3,(H,21,24)
InChIKeyAQQAXKFPYWPBDV-UHFFFAOYSA-N
XLogP2.01
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)imidazo[4,5-b]pyridine-6-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

4-pyrrolidin-1-ylsulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 26252425
1-N,4-N-bis[4-(azepan-1-ylsulfonyl)phenyl]benzene-1,4-dicarboxamide
CID 5167539
N-(4-acetylphenyl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 650028
N-[4-(azepan-1-ylsulfonyl)phenyl]-3,5-dichloro-4-methoxybenzamide
CID 1296808
N-[4-(azepan-1-ylsulfonyl)phenyl]-2,5-dimethylpyrazole-3-carboxamide
CID 58326585
3,5-difluoro-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 9415065
4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 108807916
4-(azepan-1-ylsulfonyl)-N-[4-[4-[[4-(azepan-1-ylsulfonyl)benzoyl]amino]phenyl]phenyl]benzamide
CID 3537523
3,4,5-triethoxy-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 1077830
4-(methanesulfonamido)-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 2976948
4-methoxy-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 99968232
3-methyl-N-[2-[(2-pyrrolidin-1-ylacetyl)amino]phenyl]imidazo[4,5-b]pyridine-6-carboxamide
CID 176501446

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)imidazo[4,5-b]pyridine-6-carboxamide?
The IUPAC name of 3-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)imidazo[4,5-b]pyridine-6-carboxamide (CID 75450999) is 3-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)imidazo[4,5-b]pyridine-6-carboxamide.
What is the SMILES notation for 3-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)imidazo[4,5-b]pyridine-6-carboxamide?
The canonical SMILES for 3-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)imidazo[4,5-b]pyridine-6-carboxamide is Cn1cnc2cc(C(=O)Nc3ccc(S(=O)(=O)N4CCCC4)cc3)cnc21.
What is the InChIKey of 3-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)imidazo[4,5-b]pyridine-6-carboxamide?
The InChIKey is AQQAXKFPYWPBDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O3S/c1-22-12-20-16-10-13(11-19-17(16)22)18(24)21-14-4-6-15(7-5-14)27(25,26)23-8-2-3-9-23/h4-7,10-12H,2-3,8-9H2,1H3,(H,21,24).
What are the key properties of 3-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)imidazo[4,5-b]pyridine-6-carboxamide?
3-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)imidazo[4,5-b]pyridine-6-carboxamide has a molecular weight of 385.45 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)imidazo[4,5-b]pyridine-6-carboxamide is sourced from PubChem (CID 75450999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).