2-(2-chlorophenyl)-2-hydroxy-1-[4-(2-propan-2-ylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]ethanone

C22H25ClN4O2 — CID 45234075

IUPAC2-(2-chlorophenyl)-2-hydroxy-1-[4-(2-propan-2-ylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]ethanone
SMILESCC(C)c1nc2cccnc2n1C1CCN(C(=O)C(O)c2ccccc2Cl)CC1
InChIInChI=1S/C22H25ClN4O2/c1-14(2)20-25-18-8-5-11-24-21(18)27(20)15-9-12-26(13-10-15)22(29)19(28)16-6-3-4-7-17(16)23/h3-8,11,14-15,19,28H,9-10,12-13H2,1-2H3
InChIKeyBHHDSEPUYLSWCS-UHFFFAOYSA-N
MW412.92 g/mol
LogP4.11
Rot. Bonds4

About 2-(2-chlorophenyl)-2-hydroxy-1-[4-(2-propan-2-ylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]ethanone

2-(2-chlorophenyl)-2-hydroxy-1-[4-(2-propan-2-ylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]ethanone (PubChem CID 45234075) has the molecular formula C22H25ClN4O2 and a molecular weight of 412.92 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-2-hydroxy-1-[4-(2-propan-2-ylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-chlorophenyl)-2-hydroxy-1-[4-(2-propan-2-ylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]ethanone
PubChem CID45234075
Molecular FormulaC22H25ClN4O2
Molecular Weight412.92 g/mol
Exact Mass412.17
IUPAC Name2-(2-chlorophenyl)-2-hydroxy-1-[4-(2-propan-2-ylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]ethanone
SMILESCC(C)c1nc2cccnc2n1C1CCN(C(=O)C(O)c2ccccc2Cl)CC1
InChIInChI=1S/C22H25ClN4O2/c1-14(2)20-25-18-8-5-11-24-21(18)27(20)15-9-12-26(13-10-15)22(29)19(28)16-6-3-4-7-17(16)23/h3-8,11,14-15,19,28H,9-10,12-13H2,1-2H3
InChIKeyBHHDSEPUYLSWCS-UHFFFAOYSA-N
XLogP4.11
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.92
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

cyclobutyl-[4-(2-propan-2-ylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]methanone
CID 42431837
1-[4-(2-propan-2-ylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]-2-(3,4,5-trimethoxyphenyl)ethanone
CID 42434725
6-[[4-(2-propan-2-ylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]methyl]quinoxaline
CID 26400784
3-(1-methylpiperidin-3-yl)-2-propan-2-ylimidazo[4,5-b]pyridine
CID 117166372
4-[2-(1-chloroethyl)imidazo[4,5-b]pyridin-3-yl]thiane 1,1-dioxide
CID 79294292
(2R)-2-(2-chlorophenyl)-2-hydroxy-1-[(7S)-7-methyl-1,1-dioxo-1,4-thiazepan-4-yl]ethanone
CID 129479352
ethyl 2-(3-cyclopropylimidazo[4,5-b]pyridin-2-yl)-3-methylbutanoate
CID 79481013
N-butan-2-yl-4-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]piperidine-1-carboxamide
CID 46286636
N-(2,5-dichlorophenyl)-4-[2-(2-methylpropyl)imidazo[4,5-b]pyridin-3-yl]piperidine-1-carboxamide
CID 46286756
2-propan-2-yl-3-pyrrolidin-2-ylimidazo[4,5-b]pyridine
CID 117166385
(1R)-1-(3-cyclopropylimidazo[4,5-b]pyridin-2-yl)-3-methylbutan-1-amine
CID 97055961
2-(1-chloroethyl)-3-(3,5-dimethylcyclohexyl)imidazo[4,5-b]pyridine
CID 79294182

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-2-hydroxy-1-[4-(2-propan-2-ylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(2-chlorophenyl)-2-hydroxy-1-[4-(2-propan-2-ylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]ethanone (CID 45234075) is 2-(2-chlorophenyl)-2-hydroxy-1-[4-(2-propan-2-ylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(2-chlorophenyl)-2-hydroxy-1-[4-(2-propan-2-ylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(2-chlorophenyl)-2-hydroxy-1-[4-(2-propan-2-ylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]ethanone is CC(C)c1nc2cccnc2n1C1CCN(C(=O)C(O)c2ccccc2Cl)CC1.
What is the InChIKey of 2-(2-chlorophenyl)-2-hydroxy-1-[4-(2-propan-2-ylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]ethanone?
The InChIKey is BHHDSEPUYLSWCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN4O2/c1-14(2)20-25-18-8-5-11-24-21(18)27(20)15-9-12-26(13-10-15)22(29)19(28)16-6-3-4-7-17(16)23/h3-8,11,14-15,19,28H,9-10,12-13H2,1-2H3.
What are the key properties of 2-(2-chlorophenyl)-2-hydroxy-1-[4-(2-propan-2-ylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]ethanone?
2-(2-chlorophenyl)-2-hydroxy-1-[4-(2-propan-2-ylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]ethanone has a molecular weight of 412.92 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-2-hydroxy-1-[4-(2-propan-2-ylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 45234075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).