(5-cyclopentylthiophen-2-yl)-[4-(1H-imidazo[4,5-b]pyridin-7-yl)piperidin-1-yl]methanone

C21H24N4OS — CID 167199447

IUPAC(5-cyclopentylthiophen-2-yl)-[4-(1H-imidazo[4,5-b]pyridin-7-yl)piperidin-1-yl]methanone
SMILESO=C(c1ccc(C2CCCC2)s1)N1CCC(c2ccnc3nc[nH]c23)CC1
InChIInChI=1S/C21H24N4OS/c26-21(18-6-5-17(27-18)15-3-1-2-4-15)25-11-8-14(9-12-25)16-7-10-22-20-19(16)23-13-24-20/h5-7,10,13-15H,1-4,8-9,11-12H2,(H,22,23,24)
InChIKeyRBMVFOWJTRMHKO-UHFFFAOYSA-N
MW380.52 g/mol
LogP4.70
Rot. Bonds3

About (5-cyclopentylthiophen-2-yl)-[4-(1H-imidazo[4,5-b]pyridin-7-yl)piperidin-1-yl]methanone

(5-cyclopentylthiophen-2-yl)-[4-(1H-imidazo[4,5-b]pyridin-7-yl)piperidin-1-yl]methanone (PubChem CID 167199447) has the molecular formula C21H24N4OS and a molecular weight of 380.52 g/mol. Its IUPAC name is (5-cyclopentylthiophen-2-yl)-[4-(1H-imidazo[4,5-b]pyridin-7-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-cyclopentylthiophen-2-yl)-[4-(1H-imidazo[4,5-b]pyridin-7-yl)piperidin-1-yl]methanone
PubChem CID167199447
Molecular FormulaC21H24N4OS
Molecular Weight380.52 g/mol
Exact Mass380.17
IUPAC Name(5-cyclopentylthiophen-2-yl)-[4-(1H-imidazo[4,5-b]pyridin-7-yl)piperidin-1-yl]methanone
SMILESO=C(c1ccc(C2CCCC2)s1)N1CCC(c2ccnc3nc[nH]c23)CC1
InChIInChI=1S/C21H24N4OS/c26-21(18-6-5-17(27-18)15-3-1-2-4-15)25-11-8-14(9-12-25)16-7-10-22-20-19(16)23-13-24-20/h5-7,10,13-15H,1-4,8-9,11-12H2,(H,22,23,24)
InChIKeyRBMVFOWJTRMHKO-UHFFFAOYSA-N
XLogP4.70
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.52
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (5-cyclopentylthiophen-2-yl)-[4-(1H-imidazo[4,5-b]pyridin-7-yl)piperidin-1-yl]methanone 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 (5-cyclopentylthiophen-2-yl)-[4-(1H-imidazo[4,5-b]pyridin-7-yl)piperidin-1-yl]methanone?
The IUPAC name of (5-cyclopentylthiophen-2-yl)-[4-(1H-imidazo[4,5-b]pyridin-7-yl)piperidin-1-yl]methanone (CID 167199447) is (5-cyclopentylthiophen-2-yl)-[4-(1H-imidazo[4,5-b]pyridin-7-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (5-cyclopentylthiophen-2-yl)-[4-(1H-imidazo[4,5-b]pyridin-7-yl)piperidin-1-yl]methanone?
The canonical SMILES for (5-cyclopentylthiophen-2-yl)-[4-(1H-imidazo[4,5-b]pyridin-7-yl)piperidin-1-yl]methanone is O=C(c1ccc(C2CCCC2)s1)N1CCC(c2ccnc3nc[nH]c23)CC1.
What is the InChIKey of (5-cyclopentylthiophen-2-yl)-[4-(1H-imidazo[4,5-b]pyridin-7-yl)piperidin-1-yl]methanone?
The InChIKey is RBMVFOWJTRMHKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4OS/c26-21(18-6-5-17(27-18)15-3-1-2-4-15)25-11-8-14(9-12-25)16-7-10-22-20-19(16)23-13-24-20/h5-7,10,13-15H,1-4,8-9,11-12H2,(H,22,23,24).
What are the key properties of (5-cyclopentylthiophen-2-yl)-[4-(1H-imidazo[4,5-b]pyridin-7-yl)piperidin-1-yl]methanone?
(5-cyclopentylthiophen-2-yl)-[4-(1H-imidazo[4,5-b]pyridin-7-yl)piperidin-1-yl]methanone has a molecular weight of 380.52 g/mol, XLogP of 4.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyclopentylthiophen-2-yl)-[4-(1H-imidazo[4,5-b]pyridin-7-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 167199447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).