1-(2-cyclohexylimino-1-pyridinyl)-2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethanone

C21H24N4O — CID 86877064

IUPAC1-(2-cyclohexylimino-1-pyridinyl)-2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethanone
SMILESCc1cccn2cc(CC(=O)n3cccc/c3=N\C3CCCCC3)nc12
InChIInChI=1S/C21H24N4O/c1-16-8-7-12-24-15-18(23-21(16)24)14-20(26)25-13-6-5-11-19(25)22-17-9-3-2-4-10-17/h5-8,11-13,15,17H,2-4,9-10,14H2,1H3/b22-19+
InChIKeyRYMUXGKENXZRTO-ZBJSNUHESA-N
MW348.45 g/mol
LogP3.56
Rot. Bonds3

About 1-(2-cyclohexylimino-1-pyridinyl)-2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethanone

1-(2-cyclohexylimino-1-pyridinyl)-2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethanone (PubChem CID 86877064) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is 1-(2-cyclohexylimino-1-pyridinyl)-2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethanone.

Molecular Properties

Compound Name1-(2-cyclohexylimino-1-pyridinyl)-2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethanone
PubChem CID86877064
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC Name1-(2-cyclohexylimino-1-pyridinyl)-2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethanone
SMILESCc1cccn2cc(CC(=O)n3cccc/c3=N\C3CCCCC3)nc12
InChIInChI=1S/C21H24N4O/c1-16-8-7-12-24-15-18(23-21(16)24)14-20(26)25-13-6-5-11-19(25)22-17-9-3-2-4-10-17/h5-8,11-13,15,17H,2-4,9-10,14H2,1H3/b22-19+
InChIKeyRYMUXGKENXZRTO-ZBJSNUHESA-N
XLogP3.56
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclohexylimino-1-pyridinyl)-2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethanone?
The IUPAC name of 1-(2-cyclohexylimino-1-pyridinyl)-2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethanone (CID 86877064) is 1-(2-cyclohexylimino-1-pyridinyl)-2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethanone.
What is the SMILES notation for 1-(2-cyclohexylimino-1-pyridinyl)-2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethanone?
The canonical SMILES for 1-(2-cyclohexylimino-1-pyridinyl)-2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethanone is Cc1cccn2cc(CC(=O)n3cccc/c3=N\C3CCCCC3)nc12.
What is the InChIKey of 1-(2-cyclohexylimino-1-pyridinyl)-2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethanone?
The InChIKey is RYMUXGKENXZRTO-ZBJSNUHESA-N. The full InChI is InChI=1S/C21H24N4O/c1-16-8-7-12-24-15-18(23-21(16)24)14-20(26)25-13-6-5-11-19(25)22-17-9-3-2-4-10-17/h5-8,11-13,15,17H,2-4,9-10,14H2,1H3/b22-19+.
What are the key properties of 1-(2-cyclohexylimino-1-pyridinyl)-2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethanone?
1-(2-cyclohexylimino-1-pyridinyl)-2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethanone has a molecular weight of 348.45 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclohexylimino-1-pyridinyl)-2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethanone is sourced from PubChem (CID 86877064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).