[3-[6-(6-chloroimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]piperidin-1-yl]-(4,4-difluorocyclohexyl)methanone

C24H25ClF2N4O — CID 155987018

IUPAC[3-[6-(6-chloroimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]piperidin-1-yl]-(4,4-difluorocyclohexyl)methanone
SMILESO=C(C1CCC(F)(F)CC1)N1CCCC(c2cccc(-c3cnc4ccc(Cl)cn34)n2)C1
InChIInChI=1S/C24H25ClF2N4O/c25-18-6-7-22-28-13-21(31(22)15-18)20-5-1-4-19(29-20)17-3-2-12-30(14-17)23(32)16-8-10-24(26,27)11-9-16/h1,4-7,13,15-17H,2-3,8-12,14H2
InChIKeyMMYZSIHQONMYQZ-UHFFFAOYSA-N
MW458.94 g/mol
LogP5.58
Rot. Bonds3

About [3-[6-(6-chloroimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]piperidin-1-yl]-(4,4-difluorocyclohexyl)methanone

[3-[6-(6-chloroimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]piperidin-1-yl]-(4,4-difluorocyclohexyl)methanone (PubChem CID 155987018) has the molecular formula C24H25ClF2N4O and a molecular weight of 458.94 g/mol. Its IUPAC name is [3-[6-(6-chloroimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]piperidin-1-yl]-(4,4-difluorocyclohexyl)methanone.

Molecular Properties

Compound Name[3-[6-(6-chloroimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]piperidin-1-yl]-(4,4-difluorocyclohexyl)methanone
PubChem CID155987018
Molecular FormulaC24H25ClF2N4O
Molecular Weight458.94 g/mol
Exact Mass458.17
IUPAC Name[3-[6-(6-chloroimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]piperidin-1-yl]-(4,4-difluorocyclohexyl)methanone
SMILESO=C(C1CCC(F)(F)CC1)N1CCCC(c2cccc(-c3cnc4ccc(Cl)cn34)n2)C1
InChIInChI=1S/C24H25ClF2N4O/c25-18-6-7-22-28-13-21(31(22)15-18)20-5-1-4-19(29-20)17-3-2-12-30(14-17)23(32)16-8-10-24(26,27)11-9-16/h1,4-7,13,15-17H,2-3,8-12,14H2
InChIKeyMMYZSIHQONMYQZ-UHFFFAOYSA-N
XLogP5.58
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.94
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[3-[6-(6-chloroimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]piperidin-1-yl]-(1-methylpiperidin-4-yl)methanone
CID 155987008
1-[3-[6-(6-chloroimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]piperidin-1-yl]propan-1-one
CID 132765425
[3-[6-(6-chloroimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 132772039
1-[3-[6-(6-chloroimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]piperidin-1-yl]-3-phenylpropan-1-one
CID 155987017
6-fluoro-3-[6-(1-methylpiperidin-3-yl)-2-pyridinyl]imidazo[1,2-a]pyridine
CID 155985565
(4,4-difluorocyclohexyl)-[(3R)-3-(1H-pyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]methanone
CID 124981162
3-[6-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]-N,N-dimethylpiperidine-1-sulfonamide
CID 155987031
3-[6-(6-chloroimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid
CID 132772977
1-[4-[(3S)-3-[6-[(4-chlorophenyl)methyl]-2-pyridinyl]piperidine-1-carbonyl]piperidin-1-yl]ethanone
CID 95810381
3-(6-bromo-2-pyridinyl)-6-chloroimidazo[1,2-a]pyridine
CID 70700368
6-[1-(cyclohexanecarbonyl)piperidin-3-yl]-N-pyridin-2-ylpyridine-2-carboxamide
CID 110254341
6-[(3S)-1-(cyclohexanecarbonyl)piperidin-3-yl]-N-pyridin-2-ylpyridine-2-carboxamide
CID 95817678

Frequently Asked Questions

What is the IUPAC name of [3-[6-(6-chloroimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]piperidin-1-yl]-(4,4-difluorocyclohexyl)methanone?
The IUPAC name of [3-[6-(6-chloroimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]piperidin-1-yl]-(4,4-difluorocyclohexyl)methanone (CID 155987018) is [3-[6-(6-chloroimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]piperidin-1-yl]-(4,4-difluorocyclohexyl)methanone.
What is the SMILES notation for [3-[6-(6-chloroimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]piperidin-1-yl]-(4,4-difluorocyclohexyl)methanone?
The canonical SMILES for [3-[6-(6-chloroimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]piperidin-1-yl]-(4,4-difluorocyclohexyl)methanone is O=C(C1CCC(F)(F)CC1)N1CCCC(c2cccc(-c3cnc4ccc(Cl)cn34)n2)C1.
What is the InChIKey of [3-[6-(6-chloroimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]piperidin-1-yl]-(4,4-difluorocyclohexyl)methanone?
The InChIKey is MMYZSIHQONMYQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClF2N4O/c25-18-6-7-22-28-13-21(31(22)15-18)20-5-1-4-19(29-20)17-3-2-12-30(14-17)23(32)16-8-10-24(26,27)11-9-16/h1,4-7,13,15-17H,2-3,8-12,14H2.
What are the key properties of [3-[6-(6-chloroimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]piperidin-1-yl]-(4,4-difluorocyclohexyl)methanone?
[3-[6-(6-chloroimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]piperidin-1-yl]-(4,4-difluorocyclohexyl)methanone has a molecular weight of 458.94 g/mol, XLogP of 5.58, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[6-(6-chloroimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]piperidin-1-yl]-(4,4-difluorocyclohexyl)methanone is sourced from PubChem (CID 155987018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).