6-(cyclohexylamino)-5-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)pyridine-3-sulfonamide

C19H23N5O3S — CID 71616988

IUPAC6-(cyclohexylamino)-5-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)pyridine-3-sulfonamide
SMILESCn1cc(-c2cc(S(N)(=O)=O)cnc2NC2CCCCC2)c2cc[nH]c2c1=O
InChIInChI=1S/C19H23N5O3S/c1-24-11-16(14-7-8-21-17(14)19(24)25)15-9-13(28(20,26)27)10-22-18(15)23-12-5-3-2-4-6-12/h7-12,21H,2-6H2,1H3,(H,22,23)(H2,20,26,27)
InChIKeyAYPYRWDKHQSFQZ-UHFFFAOYSA-N
MW401.49 g/mol
LogP2.32
Rot. Bonds4

About 6-(cyclohexylamino)-5-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)pyridine-3-sulfonamide

6-(cyclohexylamino)-5-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)pyridine-3-sulfonamide (PubChem CID 71616988) has the molecular formula C19H23N5O3S and a molecular weight of 401.49 g/mol. Its IUPAC name is 6-(cyclohexylamino)-5-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-(cyclohexylamino)-5-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)pyridine-3-sulfonamide
PubChem CID71616988
Molecular FormulaC19H23N5O3S
Molecular Weight401.49 g/mol
Exact Mass401.15
IUPAC Name6-(cyclohexylamino)-5-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)pyridine-3-sulfonamide
SMILESCn1cc(-c2cc(S(N)(=O)=O)cnc2NC2CCCCC2)c2cc[nH]c2c1=O
InChIInChI=1S/C19H23N5O3S/c1-24-11-16(14-7-8-21-17(14)19(24)25)15-9-13(28(20,26)27)10-22-18(15)23-12-5-3-2-4-6-12/h7-12,21H,2-6H2,1H3,(H,22,23)(H2,20,26,27)
InChIKeyAYPYRWDKHQSFQZ-UHFFFAOYSA-N
XLogP2.32
TPSA122.87 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.49
LogP ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 6-(cyclohexylamino)-5-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)pyridine-3-sulfonamide 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 6-(cyclohexylamino)-5-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)pyridine-3-sulfonamide?
The IUPAC name of 6-(cyclohexylamino)-5-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)pyridine-3-sulfonamide (CID 71616988) is 6-(cyclohexylamino)-5-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)pyridine-3-sulfonamide.
What is the SMILES notation for 6-(cyclohexylamino)-5-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)pyridine-3-sulfonamide?
The canonical SMILES for 6-(cyclohexylamino)-5-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)pyridine-3-sulfonamide is Cn1cc(-c2cc(S(N)(=O)=O)cnc2NC2CCCCC2)c2cc[nH]c2c1=O.
What is the InChIKey of 6-(cyclohexylamino)-5-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)pyridine-3-sulfonamide?
The InChIKey is AYPYRWDKHQSFQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O3S/c1-24-11-16(14-7-8-21-17(14)19(24)25)15-9-13(28(20,26)27)10-22-18(15)23-12-5-3-2-4-6-12/h7-12,21H,2-6H2,1H3,(H,22,23)(H2,20,26,27).
What are the key properties of 6-(cyclohexylamino)-5-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)pyridine-3-sulfonamide?
6-(cyclohexylamino)-5-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)pyridine-3-sulfonamide has a molecular weight of 401.49 g/mol, XLogP of 2.32, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclohexylamino)-5-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 71616988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).