2-cyclopentyl-1-(4-imidazo[4,5-b]pyridin-3-ylpiperidin-1-yl)-2-phenylethanone

C24H28N4O — CID 16674773

IUPAC2-cyclopentyl-1-(4-imidazo[4,5-b]pyridin-3-ylpiperidin-1-yl)-2-phenylethanone
SMILESO=C(C(c1ccccc1)C1CCCC1)N1CCC(n2cnc3cccnc32)CC1
InChIInChI=1S/C24H28N4O/c29-24(22(19-9-4-5-10-19)18-7-2-1-3-8-18)27-15-12-20(13-16-27)28-17-26-21-11-6-14-25-23(21)28/h1-3,6-8,11,14,17,19-20,22H,4-5,9-10,12-13,15-16H2
InChIKeyPTWMDUAZKJEPNK-UHFFFAOYSA-N
MW388.51 g/mol
LogP4.57
Rot. Bonds4

About 2-cyclopentyl-1-(4-imidazo[4,5-b]pyridin-3-ylpiperidin-1-yl)-2-phenylethanone

2-cyclopentyl-1-(4-imidazo[4,5-b]pyridin-3-ylpiperidin-1-yl)-2-phenylethanone (PubChem CID 16674773) has the molecular formula C24H28N4O and a molecular weight of 388.51 g/mol. Its IUPAC name is 2-cyclopentyl-1-(4-imidazo[4,5-b]pyridin-3-ylpiperidin-1-yl)-2-phenylethanone.

Molecular Properties

Compound Name2-cyclopentyl-1-(4-imidazo[4,5-b]pyridin-3-ylpiperidin-1-yl)-2-phenylethanone
PubChem CID16674773
Molecular FormulaC24H28N4O
Molecular Weight388.51 g/mol
Exact Mass388.23
IUPAC Name2-cyclopentyl-1-(4-imidazo[4,5-b]pyridin-3-ylpiperidin-1-yl)-2-phenylethanone
SMILESO=C(C(c1ccccc1)C1CCCC1)N1CCC(n2cnc3cccnc32)CC1
InChIInChI=1S/C24H28N4O/c29-24(22(19-9-4-5-10-19)18-7-2-1-3-8-18)27-15-12-20(13-16-27)28-17-26-21-11-6-14-25-23(21)28/h1-3,6-8,11,14,17,19-20,22H,4-5,9-10,12-13,15-16H2
InChIKeyPTWMDUAZKJEPNK-UHFFFAOYSA-N
XLogP4.57
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-cyclopentyl-1-(4-imidazo[4,5-b]pyridin-3-ylpiperidin-1-yl)-2-phenylethanone with MolForge

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Related Compounds

2-hydroxy-1-(4-imidazo[4,5-b]pyridin-3-ylpiperidin-1-yl)-3-methyl-2-phenylbutan-1-one
CID 166307452
tert-butyl 4-imidazo[4,5-b]pyridin-3-ylpiperidine-1-carboxylate
CID 11255100
2-cyclopropyl-2-phenyl-1-pyrrolidin-1-ylethanone
CID 110406993
[1-(4-chlorophenyl)cyclobutyl]-(4-imidazo[4,5-b]pyridin-3-ylpiperidin-1-yl)methanone
CID 16674629
N-(2,3-dimethylphenyl)-4-imidazo[4,5-b]pyridin-3-ylpiperidine-1-carboxamide
CID 46286518
N-(3,5-dimethoxyphenyl)-4-imidazo[4,5-b]pyridin-3-ylpiperidine-1-carboxamide
CID 46286550
1-[(2S)-2-cyclopentyl-2-phenylacetyl]-4-hydroxypiperidine-4-carboxylic acid
CID 95543173
1-[4-[2-[(2S)-oxolan-2-yl]imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]-2,2-diphenylethanone
CID 26352178
4-(benzimidazol-1-yl)piperidine-1-carboxylic acid
CID 22047977
N-(5-chloro-2-methylphenyl)-4-imidazo[4,5-b]pyridin-3-ylpiperidine-1-carboxamide
CID 46286530
2-[1-(2-cyclopentyl-2-phenylacetyl)piperidin-4-yl]-N-quinoxalin-6-ylacetamide
CID 110149843
2-cyclopentyl-2-phenyl-1-[4-(2-phenylethyl)piperazin-1-yl]ethanone
CID 122664615

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-1-(4-imidazo[4,5-b]pyridin-3-ylpiperidin-1-yl)-2-phenylethanone?
The IUPAC name of 2-cyclopentyl-1-(4-imidazo[4,5-b]pyridin-3-ylpiperidin-1-yl)-2-phenylethanone (CID 16674773) is 2-cyclopentyl-1-(4-imidazo[4,5-b]pyridin-3-ylpiperidin-1-yl)-2-phenylethanone.
What is the SMILES notation for 2-cyclopentyl-1-(4-imidazo[4,5-b]pyridin-3-ylpiperidin-1-yl)-2-phenylethanone?
The canonical SMILES for 2-cyclopentyl-1-(4-imidazo[4,5-b]pyridin-3-ylpiperidin-1-yl)-2-phenylethanone is O=C(C(c1ccccc1)C1CCCC1)N1CCC(n2cnc3cccnc32)CC1.
What is the InChIKey of 2-cyclopentyl-1-(4-imidazo[4,5-b]pyridin-3-ylpiperidin-1-yl)-2-phenylethanone?
The InChIKey is PTWMDUAZKJEPNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O/c29-24(22(19-9-4-5-10-19)18-7-2-1-3-8-18)27-15-12-20(13-16-27)28-17-26-21-11-6-14-25-23(21)28/h1-3,6-8,11,14,17,19-20,22H,4-5,9-10,12-13,15-16H2.
What are the key properties of 2-cyclopentyl-1-(4-imidazo[4,5-b]pyridin-3-ylpiperidin-1-yl)-2-phenylethanone?
2-cyclopentyl-1-(4-imidazo[4,5-b]pyridin-3-ylpiperidin-1-yl)-2-phenylethanone has a molecular weight of 388.51 g/mol, XLogP of 4.57, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-1-(4-imidazo[4,5-b]pyridin-3-ylpiperidin-1-yl)-2-phenylethanone is sourced from PubChem (CID 16674773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).