[4-[2-(cyclopentylmethyl)imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]-(2,5-dimethylpyrazol-3-yl)methanone

C23H30N6O — CID 25465116

IUPAC[4-[2-(cyclopentylmethyl)imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]-(2,5-dimethylpyrazol-3-yl)methanone
SMILESCc1cc(C(=O)N2CCC(n3c(CC4CCCC4)nc4cccnc43)CC2)n(C)n1
InChIInChI=1S/C23H30N6O/c1-16-14-20(27(2)26-16)23(30)28-12-9-18(10-13-28)29-21(15-17-6-3-4-7-17)25-19-8-5-11-24-22(19)29/h5,8,11,14,17-18H,3-4,6-7,9-10,12-13,15H2,1-2H3
InChIKeyKRHHSLYYROMYGV-UHFFFAOYSA-N
MW406.53 g/mol
LogP3.68
Rot. Bonds4

About [4-[2-(cyclopentylmethyl)imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]-(2,5-dimethylpyrazol-3-yl)methanone

[4-[2-(cyclopentylmethyl)imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]-(2,5-dimethylpyrazol-3-yl)methanone (PubChem CID 25465116) has the molecular formula C23H30N6O and a molecular weight of 406.53 g/mol. Its IUPAC name is [4-[2-(cyclopentylmethyl)imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]-(2,5-dimethylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name[4-[2-(cyclopentylmethyl)imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]-(2,5-dimethylpyrazol-3-yl)methanone
PubChem CID25465116
Molecular FormulaC23H30N6O
Molecular Weight406.53 g/mol
Exact Mass406.25
IUPAC Name[4-[2-(cyclopentylmethyl)imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]-(2,5-dimethylpyrazol-3-yl)methanone
SMILESCc1cc(C(=O)N2CCC(n3c(CC4CCCC4)nc4cccnc43)CC2)n(C)n1
InChIInChI=1S/C23H30N6O/c1-16-14-20(27(2)26-16)23(30)28-12-9-18(10-13-28)29-21(15-17-6-3-4-7-17)25-19-8-5-11-24-22(19)29/h5,8,11,14,17-18H,3-4,6-7,9-10,12-13,15H2,1-2H3
InChIKeyKRHHSLYYROMYGV-UHFFFAOYSA-N
XLogP3.68
TPSA68.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-cyclopentyl-2-[(1-methylpiperidin-4-yl)methyl]imidazo[4,5-b]pyridine
CID 117161718
[4-[2-(cyclopentylmethyl)imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
CID 42209923
(2,5-dimethylpyrazol-3-yl)-[4-[2-[2-(2-methoxyphenyl)ethyl]benzimidazol-1-yl]piperidin-1-yl]methanone
CID 42275986
[4-[2-[(2-methylphenyl)methyl]imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone
CID 42479295
4-[(3-cyclopropylimidazo[4,5-b]pyridin-2-yl)methyl]thiane 1,1-dioxide
CID 117161703
3-cyclopentyl-2-(thian-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117164099
(2,5-dimethylpyrazol-3-yl)-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 66127135
2-[(1-methylpiperidin-4-yl)methyl]-3-piperidin-3-ylimidazo[4,5-b]pyridine
CID 117161555
N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-N-methylacetamide
CID 18734143
3-cyclohexyl-2-(thian-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117164104
[4-(2-ethylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]-(1H-indol-2-yl)methanone
CID 95826189
3-cyclopropyl-2-(thian-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117164087

Frequently Asked Questions

What is the IUPAC name of [4-[2-(cyclopentylmethyl)imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]-(2,5-dimethylpyrazol-3-yl)methanone?
The IUPAC name of [4-[2-(cyclopentylmethyl)imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]-(2,5-dimethylpyrazol-3-yl)methanone (CID 25465116) is [4-[2-(cyclopentylmethyl)imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]-(2,5-dimethylpyrazol-3-yl)methanone.
What is the SMILES notation for [4-[2-(cyclopentylmethyl)imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]-(2,5-dimethylpyrazol-3-yl)methanone?
The canonical SMILES for [4-[2-(cyclopentylmethyl)imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]-(2,5-dimethylpyrazol-3-yl)methanone is Cc1cc(C(=O)N2CCC(n3c(CC4CCCC4)nc4cccnc43)CC2)n(C)n1.
What is the InChIKey of [4-[2-(cyclopentylmethyl)imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]-(2,5-dimethylpyrazol-3-yl)methanone?
The InChIKey is KRHHSLYYROMYGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N6O/c1-16-14-20(27(2)26-16)23(30)28-12-9-18(10-13-28)29-21(15-17-6-3-4-7-17)25-19-8-5-11-24-22(19)29/h5,8,11,14,17-18H,3-4,6-7,9-10,12-13,15H2,1-2H3.
What are the key properties of [4-[2-(cyclopentylmethyl)imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]-(2,5-dimethylpyrazol-3-yl)methanone?
[4-[2-(cyclopentylmethyl)imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]-(2,5-dimethylpyrazol-3-yl)methanone has a molecular weight of 406.53 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(cyclopentylmethyl)imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]-(2,5-dimethylpyrazol-3-yl)methanone is sourced from PubChem (CID 25465116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).