2-amino-5-[2-amino-3-(3-morpholin-4-ylpropyl)benzimidazol-5-yl]-N-cyclopropylpyridine-3-sulfonamide

C22H29N7O3S — CID 71116633

IUPAC2-amino-5-[2-amino-3-(3-morpholin-4-ylpropyl)benzimidazol-5-yl]-N-cyclopropylpyridine-3-sulfonamide
SMILESNc1ncc(-c2ccc3nc(N)n(CCCN4CCOCC4)c3c2)cc1S(=O)(=O)NC1CC1
InChIInChI=1S/C22H29N7O3S/c23-21-20(33(30,31)27-17-3-4-17)13-16(14-25-21)15-2-5-18-19(12-15)29(22(24)26-18)7-1-6-28-8-10-32-11-9-28/h2,5,12-14,17,27H,1,3-4,6-11H2,(H2,23,25)(H2,24,26)
InChIKeyOOTWJIKXEAJLIE-UHFFFAOYSA-N
MW471.59 g/mol
LogP1.43
Rot. Bonds8

About 2-amino-5-[2-amino-3-(3-morpholin-4-ylpropyl)benzimidazol-5-yl]-N-cyclopropylpyridine-3-sulfonamide

2-amino-5-[2-amino-3-(3-morpholin-4-ylpropyl)benzimidazol-5-yl]-N-cyclopropylpyridine-3-sulfonamide (PubChem CID 71116633) has the molecular formula C22H29N7O3S and a molecular weight of 471.59 g/mol. Its IUPAC name is 2-amino-5-[2-amino-3-(3-morpholin-4-ylpropyl)benzimidazol-5-yl]-N-cyclopropylpyridine-3-sulfonamide.

Molecular Properties

Compound Name2-amino-5-[2-amino-3-(3-morpholin-4-ylpropyl)benzimidazol-5-yl]-N-cyclopropylpyridine-3-sulfonamide
PubChem CID71116633
Molecular FormulaC22H29N7O3S
Molecular Weight471.59 g/mol
Exact Mass471.21
IUPAC Name2-amino-5-[2-amino-3-(3-morpholin-4-ylpropyl)benzimidazol-5-yl]-N-cyclopropylpyridine-3-sulfonamide
SMILESNc1ncc(-c2ccc3nc(N)n(CCCN4CCOCC4)c3c2)cc1S(=O)(=O)NC1CC1
InChIInChI=1S/C22H29N7O3S/c23-21-20(33(30,31)27-17-3-4-17)13-16(14-25-21)15-2-5-18-19(12-15)29(22(24)26-18)7-1-6-28-8-10-32-11-9-28/h2,5,12-14,17,27H,1,3-4,6-11H2,(H2,23,25)(H2,24,26)
InChIKeyOOTWJIKXEAJLIE-UHFFFAOYSA-N
XLogP1.43
TPSA141.39 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.59
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 2-amino-5-[2-amino-3-(3-morpholin-4-ylpropyl)benzimidazol-5-yl]-N-cyclopropylpyridine-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

Related Compounds

2-amino-5-[2-amino-3-(3-morpholin-4-ylpropyl)benzimidazol-5-yl]-N-phenylpyridine-3-sulfonamide
CID 71116644
N-[5-[2-amino-3-(3-morpholin-4-ylpropyl)benzimidazol-5-yl]-2-methoxy-3-pyridinyl]pyridine-3-sulfonamide
CID 71116169
5-[2-amino-3-(4-morpholin-4-ylphenyl)benzimidazol-5-yl]-N-cyclopentyl-2-methoxypyridine-3-sulfonamide
CID 71131421
5-[2-amino-3-(4-morpholin-4-ylphenyl)benzimidazol-5-yl]-2-methoxy-N-(oxan-4-yl)pyridine-3-sulfonamide
CID 71116330
[6-[6-amino-5-(cyclopropylsulfamoyl)-3-pyridinyl]-3-(oxan-4-yl)-4-oxoquinazolin-2-yl]-methyl-methylideneazanium
CID 123791721
6-bromo-1-(2-morpholin-4-ylethyl)benzimidazol-2-amine
CID 65346726
2-amino-5-[2-amino-3-(1,4-dioxan-2-ylmethyl)-4-oxoquinazolin-6-yl]-N-phenylpyridine-3-sulfonamide
CID 67982335
5-[2-amino-3-(4-morpholin-4-ylphenyl)benzimidazol-5-yl]-N-(cyclopropylmethyl)-2-methoxypyridine-3-sulfonamide
CID 123396438
N-[5-[2-amino-3-[3-(oxolan-2-ylmethylamino)propyl]benzimidazol-5-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide
CID 71116423
5-methyl-1-(2-morpholin-4-ylethyl)benzimidazol-2-amine
CID 43661563
2-amino-6-[6-amino-5-(phenylsulfamoyl)-3-pyridinyl]-N,N-dimethylbenzimidazole-1-sulfonamide
CID 71136714
2-amino-N-(4-hydroxycyclohexyl)-5-[4-[(1S,5R)-3-(2-morpholin-4-ylethyl)-3-azabicyclo[3.1.0]hexan-1-yl]phenyl]pyridine-3-carboxamide
CID 134203046

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[2-amino-3-(3-morpholin-4-ylpropyl)benzimidazol-5-yl]-N-cyclopropylpyridine-3-sulfonamide?
The IUPAC name of 2-amino-5-[2-amino-3-(3-morpholin-4-ylpropyl)benzimidazol-5-yl]-N-cyclopropylpyridine-3-sulfonamide (CID 71116633) is 2-amino-5-[2-amino-3-(3-morpholin-4-ylpropyl)benzimidazol-5-yl]-N-cyclopropylpyridine-3-sulfonamide.
What is the SMILES notation for 2-amino-5-[2-amino-3-(3-morpholin-4-ylpropyl)benzimidazol-5-yl]-N-cyclopropylpyridine-3-sulfonamide?
The canonical SMILES for 2-amino-5-[2-amino-3-(3-morpholin-4-ylpropyl)benzimidazol-5-yl]-N-cyclopropylpyridine-3-sulfonamide is Nc1ncc(-c2ccc3nc(N)n(CCCN4CCOCC4)c3c2)cc1S(=O)(=O)NC1CC1.
What is the InChIKey of 2-amino-5-[2-amino-3-(3-morpholin-4-ylpropyl)benzimidazol-5-yl]-N-cyclopropylpyridine-3-sulfonamide?
The InChIKey is OOTWJIKXEAJLIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N7O3S/c23-21-20(33(30,31)27-17-3-4-17)13-16(14-25-21)15-2-5-18-19(12-15)29(22(24)26-18)7-1-6-28-8-10-32-11-9-28/h2,5,12-14,17,27H,1,3-4,6-11H2,(H2,23,25)(H2,24,26).
What are the key properties of 2-amino-5-[2-amino-3-(3-morpholin-4-ylpropyl)benzimidazol-5-yl]-N-cyclopropylpyridine-3-sulfonamide?
2-amino-5-[2-amino-3-(3-morpholin-4-ylpropyl)benzimidazol-5-yl]-N-cyclopropylpyridine-3-sulfonamide has a molecular weight of 471.59 g/mol, XLogP of 1.43, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[2-amino-3-(3-morpholin-4-ylpropyl)benzimidazol-5-yl]-N-cyclopropylpyridine-3-sulfonamide is sourced from PubChem (CID 71116633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).