4-(5-methylimidazo[1,2-a]pyridine-2-carbonyl)-1,4-diazepan-2-one

C14H16N4O2 — CID 62897584

IUPAC4-(5-methylimidazo[1,2-a]pyridine-2-carbonyl)-1,4-diazepan-2-one
SMILESCc1cccc2nc(C(=O)N3CCCNC(=O)C3)cn12
InChIInChI=1S/C14H16N4O2/c1-10-4-2-5-12-16-11(8-18(10)12)14(20)17-7-3-6-15-13(19)9-17/h2,4-5,8H,3,6-7,9H2,1H3,(H,15,19)
InChIKeyCRSQLBDZPCVYAJ-UHFFFAOYSA-N
MW272.31 g/mol
LogP0.60
Rot. Bonds1

About 4-(5-methylimidazo[1,2-a]pyridine-2-carbonyl)-1,4-diazepan-2-one

4-(5-methylimidazo[1,2-a]pyridine-2-carbonyl)-1,4-diazepan-2-one (PubChem CID 62897584) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is 4-(5-methylimidazo[1,2-a]pyridine-2-carbonyl)-1,4-diazepan-2-one.

Molecular Properties

Compound Name4-(5-methylimidazo[1,2-a]pyridine-2-carbonyl)-1,4-diazepan-2-one
PubChem CID62897584
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Name4-(5-methylimidazo[1,2-a]pyridine-2-carbonyl)-1,4-diazepan-2-one
SMILESCc1cccc2nc(C(=O)N3CCCNC(=O)C3)cn12
InChIInChI=1S/C14H16N4O2/c1-10-4-2-5-12-16-11(8-18(10)12)14(20)17-7-3-6-15-13(19)9-17/h2,4-5,8H,3,6-7,9H2,1H3,(H,15,19)
InChIKeyCRSQLBDZPCVYAJ-UHFFFAOYSA-N
XLogP0.60
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(5-methylimidazo[1,2-a]pyridine-2-carbonyl)piperazin-2-one
CID 60693398
(4-methylazepan-1-yl)-(5-methylimidazo[1,2-a]pyridin-2-yl)methanone
CID 56821890
4-(2,6-dimethylbenzoyl)-1,4-diazepan-2-one
CID 113258340
4-(2-methyl-1,3-thiazole-4-carbonyl)-1,4-diazepan-2-one
CID 62897938
1-(5-methylimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 63030760
4-(1-chloroisoquinoline-3-carbonyl)-1,4-diazepan-2-one
CID 65366073
(5-methylimidazo[1,2-a]pyridin-2-yl)-[(3S)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]methanone
CID 125010567
[(3R)-3-hydroxy-3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-(5-methylimidazo[1,2-a]pyridin-2-yl)methanone
CID 124954418
(5-methylimidazo[1,2-a]pyridin-2-yl)-[4-(2-phenylethyl)piperazin-1-yl]methanone
CID 31951738
[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(5-methylimidazo[1,2-a]pyridin-2-yl)methanone
CID 40723165
[(3R,4R)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]-(5-methylimidazo[1,2-a]pyridin-2-yl)methanone
CID 110108328
[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-(5-methylimidazo[1,2-a]pyridin-2-yl)methanone
CID 102934734

Frequently Asked Questions

What is the IUPAC name of 4-(5-methylimidazo[1,2-a]pyridine-2-carbonyl)-1,4-diazepan-2-one?
The IUPAC name of 4-(5-methylimidazo[1,2-a]pyridine-2-carbonyl)-1,4-diazepan-2-one (CID 62897584) is 4-(5-methylimidazo[1,2-a]pyridine-2-carbonyl)-1,4-diazepan-2-one.
What is the SMILES notation for 4-(5-methylimidazo[1,2-a]pyridine-2-carbonyl)-1,4-diazepan-2-one?
The canonical SMILES for 4-(5-methylimidazo[1,2-a]pyridine-2-carbonyl)-1,4-diazepan-2-one is Cc1cccc2nc(C(=O)N3CCCNC(=O)C3)cn12.
What is the InChIKey of 4-(5-methylimidazo[1,2-a]pyridine-2-carbonyl)-1,4-diazepan-2-one?
The InChIKey is CRSQLBDZPCVYAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-10-4-2-5-12-16-11(8-18(10)12)14(20)17-7-3-6-15-13(19)9-17/h2,4-5,8H,3,6-7,9H2,1H3,(H,15,19).
What are the key properties of 4-(5-methylimidazo[1,2-a]pyridine-2-carbonyl)-1,4-diazepan-2-one?
4-(5-methylimidazo[1,2-a]pyridine-2-carbonyl)-1,4-diazepan-2-one has a molecular weight of 272.31 g/mol, XLogP of 0.60, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methylimidazo[1,2-a]pyridine-2-carbonyl)-1,4-diazepan-2-one is sourced from PubChem (CID 62897584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).