4-amino-N-[2-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-2-oxoethyl]-N-(2-methylpropyl)benzenesulfonamide

C25H34N6O3S — CID 10962130

IUPAC4-amino-N-[2-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-2-oxoethyl]-N-(2-methylpropyl)benzenesulfonamide
SMILESCc1nc2cnccc2n1CC1CCN(C(=O)CN(CC(C)C)S(=O)(=O)c2ccc(N)cc2)CC1
InChIInChI=1S/C25H34N6O3S/c1-18(2)15-30(35(33,34)22-6-4-21(26)5-7-22)17-25(32)29-12-9-20(10-13-29)16-31-19(3)28-23-14-27-11-8-24(23)31/h4-8,11,14,18,20H,9-10,12-13,15-17,26H2,1-3H3
InChIKeyXVKBESXAVSYXAS-UHFFFAOYSA-N
MW498.65 g/mol
LogP2.91
Rot. Bonds8

About 4-amino-N-[2-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-2-oxoethyl]-N-(2-methylpropyl)benzenesulfonamide

4-amino-N-[2-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-2-oxoethyl]-N-(2-methylpropyl)benzenesulfonamide (PubChem CID 10962130) has the molecular formula C25H34N6O3S and a molecular weight of 498.65 g/mol. Its IUPAC name is 4-amino-N-[2-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-2-oxoethyl]-N-(2-methylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-[2-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-2-oxoethyl]-N-(2-methylpropyl)benzenesulfonamide
PubChem CID10962130
Molecular FormulaC25H34N6O3S
Molecular Weight498.65 g/mol
Exact Mass498.24
IUPAC Name4-amino-N-[2-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-2-oxoethyl]-N-(2-methylpropyl)benzenesulfonamide
SMILESCc1nc2cnccc2n1CC1CCN(C(=O)CN(CC(C)C)S(=O)(=O)c2ccc(N)cc2)CC1
InChIInChI=1S/C25H34N6O3S/c1-18(2)15-30(35(33,34)22-6-4-21(26)5-7-22)17-25(32)29-12-9-20(10-13-29)16-31-19(3)28-23-14-27-11-8-24(23)31/h4-8,11,14,18,20H,9-10,12-13,15-17,26H2,1-3H3
InChIKeyXVKBESXAVSYXAS-UHFFFAOYSA-N
XLogP2.91
TPSA114.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.65
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-amino-N-[2-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-2-oxoethyl]-N-(2-methylpropyl)benzenesulfonamide 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 4-amino-N-[2-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-2-oxoethyl]-N-(2-methylpropyl)benzenesulfonamide?
The IUPAC name of 4-amino-N-[2-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-2-oxoethyl]-N-(2-methylpropyl)benzenesulfonamide (CID 10962130) is 4-amino-N-[2-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-2-oxoethyl]-N-(2-methylpropyl)benzenesulfonamide.
What is the SMILES notation for 4-amino-N-[2-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-2-oxoethyl]-N-(2-methylpropyl)benzenesulfonamide?
The canonical SMILES for 4-amino-N-[2-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-2-oxoethyl]-N-(2-methylpropyl)benzenesulfonamide is Cc1nc2cnccc2n1CC1CCN(C(=O)CN(CC(C)C)S(=O)(=O)c2ccc(N)cc2)CC1.
What is the InChIKey of 4-amino-N-[2-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-2-oxoethyl]-N-(2-methylpropyl)benzenesulfonamide?
The InChIKey is XVKBESXAVSYXAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N6O3S/c1-18(2)15-30(35(33,34)22-6-4-21(26)5-7-22)17-25(32)29-12-9-20(10-13-29)16-31-19(3)28-23-14-27-11-8-24(23)31/h4-8,11,14,18,20H,9-10,12-13,15-17,26H2,1-3H3.
What are the key properties of 4-amino-N-[2-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-2-oxoethyl]-N-(2-methylpropyl)benzenesulfonamide?
4-amino-N-[2-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-2-oxoethyl]-N-(2-methylpropyl)benzenesulfonamide has a molecular weight of 498.65 g/mol, XLogP of 2.91, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-2-oxoethyl]-N-(2-methylpropyl)benzenesulfonamide is sourced from PubChem (CID 10962130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).