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

C23H20ClN5O — CID 132772039

IUPAC[3-[6-(6-chloroimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]piperidin-1-yl]-pyridin-4-ylmethanone
SMILESO=C(c1ccncc1)N1CCCC(c2cccc(-c3cnc4ccc(Cl)cn34)n2)C1
InChIInChI=1S/C23H20ClN5O/c24-18-6-7-22-26-13-21(29(22)15-18)20-5-1-4-19(27-20)17-3-2-12-28(14-17)23(30)16-8-10-25-11-9-16/h1,4-11,13,15,17H,2-3,12,14H2
InChIKeyVWBJIHVBTTXCPW-UHFFFAOYSA-N
MW417.90 g/mol
LogP4.46
Rot. Bonds3

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

[3-[6-(6-chloroimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]piperidin-1-yl]-pyridin-4-ylmethanone (PubChem CID 132772039) has the molecular formula C23H20ClN5O and a molecular weight of 417.90 g/mol. Its IUPAC name is [3-[6-(6-chloroimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]piperidin-1-yl]-pyridin-4-ylmethanone.

Molecular Properties

Compound Name[3-[6-(6-chloroimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]piperidin-1-yl]-pyridin-4-ylmethanone
PubChem CID132772039
Molecular FormulaC23H20ClN5O
Molecular Weight417.90 g/mol
Exact Mass417.14
IUPAC Name[3-[6-(6-chloroimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]piperidin-1-yl]-pyridin-4-ylmethanone
SMILESO=C(c1ccncc1)N1CCCC(c2cccc(-c3cnc4ccc(Cl)cn34)n2)C1
InChIInChI=1S/C23H20ClN5O/c24-18-6-7-22-26-13-21(29(22)15-18)20-5-1-4-19(27-20)17-3-2-12-28(14-17)23(30)16-8-10-25-11-9-16/h1,4-11,13,15,17H,2-3,12,14H2
InChIKeyVWBJIHVBTTXCPW-UHFFFAOYSA-N
XLogP4.46
TPSA63.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.90
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [3-[6-(6-chloroimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]piperidin-1-yl]-pyridin-4-ylmethanone with MolForge

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Related Compounds

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]-(1-methylpiperidin-4-yl)methanone
CID 155987008
[3-[6-(6-chloroimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]piperidin-1-yl]-(4,4-difluorocyclohexyl)methanone
CID 155987018
1-[3-[6-(6-chloroimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]piperidin-1-yl]-3-phenylpropan-1-one
CID 155987017
(3-pyrazin-2-ylpiperidin-1-yl)-pyridin-4-ylmethanone
CID 110256969
6-fluoro-3-[6-(1-methylpiperidin-3-yl)-2-pyridinyl]imidazo[1,2-a]pyridine
CID 155985565
(4-fluorophenyl)-[3-[6-(4-fluorophenyl)-2-pyridinyl]piperidin-1-yl]methanone
CID 110249296
6-[(3S)-1-(pyridine-3-carbonyl)piperidin-3-yl]pyridine-2-carboxamide
CID 95818545
phenyl-[(3S)-3-[6-(pyrazin-2-ylamino)-2-pyridinyl]piperidin-1-yl]methanone
CID 124998713
(4-chlorophenyl)-[3-[2-(pyridin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]methanone
CID 110267189
3-[6-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]-N,N-dimethylpiperidine-1-sulfonamide
CID 155987031
3-(6-bromo-2-pyridinyl)-6-chloroimidazo[1,2-a]pyridine
CID 70700368

Frequently Asked Questions

What is the IUPAC name of [3-[6-(6-chloroimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]piperidin-1-yl]-pyridin-4-ylmethanone?
The IUPAC name of [3-[6-(6-chloroimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]piperidin-1-yl]-pyridin-4-ylmethanone (CID 132772039) is [3-[6-(6-chloroimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]piperidin-1-yl]-pyridin-4-ylmethanone.
What is the SMILES notation for [3-[6-(6-chloroimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]piperidin-1-yl]-pyridin-4-ylmethanone?
The canonical SMILES for [3-[6-(6-chloroimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]piperidin-1-yl]-pyridin-4-ylmethanone is O=C(c1ccncc1)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]-pyridin-4-ylmethanone?
The InChIKey is VWBJIHVBTTXCPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN5O/c24-18-6-7-22-26-13-21(29(22)15-18)20-5-1-4-19(27-20)17-3-2-12-28(14-17)23(30)16-8-10-25-11-9-16/h1,4-11,13,15,17H,2-3,12,14H2.
What are the key properties of [3-[6-(6-chloroimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]piperidin-1-yl]-pyridin-4-ylmethanone?
[3-[6-(6-chloroimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]piperidin-1-yl]-pyridin-4-ylmethanone has a molecular weight of 417.90 g/mol, XLogP of 4.46, 3 rotatable bonds, 0 hydrogen bond donors, and 5 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]-pyridin-4-ylmethanone is sourced from PubChem (CID 132772039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).