N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide

C17H21N5O3S — CID 53022535

IUPACN-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)NCc1nc2cccnc2n1C1CCCC1
InChIInChI=1S/C17H21N5O3S/c1-11-16(12(2)25-21-11)26(23,24)19-10-15-20-14-8-5-9-18-17(14)22(15)13-6-3-4-7-13/h5,8-9,13,19H,3-4,6-7,10H2,1-2H3
InChIKeyKCCUNSAKVGPJSJ-UHFFFAOYSA-N
MW375.45 g/mol
LogP2.63
Rot. Bonds5

About N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide

N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide (PubChem CID 53022535) has the molecular formula C17H21N5O3S and a molecular weight of 375.45 g/mol. Its IUPAC name is N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
PubChem CID53022535
Molecular FormulaC17H21N5O3S
Molecular Weight375.45 g/mol
Exact Mass375.14
IUPAC NameN-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)NCc1nc2cccnc2n1C1CCCC1
InChIInChI=1S/C17H21N5O3S/c1-11-16(12(2)25-21-11)26(23,24)19-10-15-20-14-8-5-9-18-17(14)22(15)13-6-3-4-7-13/h5,8-9,13,19H,3-4,6-7,10H2,1-2H3
InChIKeyKCCUNSAKVGPJSJ-UHFFFAOYSA-N
XLogP2.63
TPSA102.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-3,5-dimethyl-1,2-oxazole-4-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

N-[(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)methyl]-4-methylbenzenesulfonamide
CID 53022486
N-[(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)methyl]-2,4,5-trimethylbenzenesulfonamide
CID 53022499
4-tert-butyl-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]benzenesulfonamide
CID 53022536
N-[(3-cyclopropylimidazo[4,5-b]pyridin-2-yl)methyl]-3-methylbenzenesulfonamide
CID 53022556
N-[4-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methylsulfamoyl]phenyl]propanamide
CID 53022532
N-[(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)methyl]-2,1,3-benzothiadiazole-4-sulfonamide
CID 53010984
3,5-dimethyl-4-[(3S)-3-(2-propylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]sulfonyl-1,2-oxazole
CID 95108530
3-chloro-N-[(3-cyclopropylimidazo[4,5-b]pyridin-2-yl)methyl]-4-fluorobenzenesulfonamide
CID 53011007
(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)methanamine
CID 82474489
N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-N-methylacetamide
CID 18734143
3,5-dimethyl-4-[(3S)-3-(2-thiophen-2-ylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]sulfonyl-1,2-oxazole
CID 95108581
2-(3-cycloheptylimidazo[4,5-b]pyridin-2-yl)ethanamine
CID 82483690

Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The IUPAC name of N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide (CID 53022535) is N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The canonical SMILES for N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide is Cc1noc(C)c1S(=O)(=O)NCc1nc2cccnc2n1C1CCCC1.
What is the InChIKey of N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The InChIKey is KCCUNSAKVGPJSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O3S/c1-11-16(12(2)25-21-11)26(23,24)19-10-15-20-14-8-5-9-18-17(14)22(15)13-6-3-4-7-13/h5,8-9,13,19H,3-4,6-7,10H2,1-2H3.
What are the key properties of N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide has a molecular weight of 375.45 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 53022535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).