4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1-(4-phenylbenzoyl)-1,4-diazepan-5-one

C27H26N4O2 — CID 118758913

IUPAC4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1-(4-phenylbenzoyl)-1,4-diazepan-5-one
SMILESCc1cccn2cc(CN3CCN(C(=O)c4ccc(-c5ccccc5)cc4)CCC3=O)nc12
InChIInChI=1S/C27H26N4O2/c1-20-6-5-14-31-19-24(28-26(20)31)18-30-17-16-29(15-13-25(30)32)27(33)23-11-9-22(10-12-23)21-7-3-2-4-8-21/h2-12,14,19H,13,15-18H2,1H3
InChIKeyJOQDSECLODBTCO-UHFFFAOYSA-N
MW438.53 g/mol
LogP4.18
Rot. Bonds4

About 4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1-(4-phenylbenzoyl)-1,4-diazepan-5-one

4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1-(4-phenylbenzoyl)-1,4-diazepan-5-one (PubChem CID 118758913) has the molecular formula C27H26N4O2 and a molecular weight of 438.53 g/mol. Its IUPAC name is 4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1-(4-phenylbenzoyl)-1,4-diazepan-5-one.

Molecular Properties

Compound Name4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1-(4-phenylbenzoyl)-1,4-diazepan-5-one
PubChem CID118758913
Molecular FormulaC27H26N4O2
Molecular Weight438.53 g/mol
Exact Mass438.21
IUPAC Name4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1-(4-phenylbenzoyl)-1,4-diazepan-5-one
SMILESCc1cccn2cc(CN3CCN(C(=O)c4ccc(-c5ccccc5)cc4)CCC3=O)nc12
InChIInChI=1S/C27H26N4O2/c1-20-6-5-14-31-19-24(28-26(20)31)18-30-17-16-29(15-13-25(30)32)27(33)23-11-9-22(10-12-23)21-7-3-2-4-8-21/h2-12,14,19H,13,15-18H2,1H3
InChIKeyJOQDSECLODBTCO-UHFFFAOYSA-N
XLogP4.18
TPSA57.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.53
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1-(4-phenylbenzoyl)-1,4-diazepan-5-one with MolForge

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Related Compounds

1-(3-cyclohexylpropanoyl)-4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1,4-diazepan-5-one
CID 118756176
2-[4-[4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzoyl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 55521546
[2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 38169426
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]methanone
CID 16613346
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]methanone
CID 42093801
[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-[4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]methanone
CID 16612988
(4-tert-butylphenyl)-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]methanone
CID 134056660
1-(4-tert-butylbenzoyl)-4-(pyridin-3-ylmethyl)-1,4-diazepan-5-one
CID 42484485
[4-[2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzoyl]-1,4-diazepan-1-yl]-(3-methylphenyl)methanone
CID 36636036
formic acid;4-methyl-9-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 154906890
3-ethyl-1-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]pyrrolidine-3-carboxylic acid
CID 63148611
[1-[2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzoyl]piperidin-4-yl]-phenylmethanone
CID 24682976

Frequently Asked Questions

What is the IUPAC name of 4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1-(4-phenylbenzoyl)-1,4-diazepan-5-one?
The IUPAC name of 4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1-(4-phenylbenzoyl)-1,4-diazepan-5-one (CID 118758913) is 4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1-(4-phenylbenzoyl)-1,4-diazepan-5-one.
What is the SMILES notation for 4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1-(4-phenylbenzoyl)-1,4-diazepan-5-one?
The canonical SMILES for 4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1-(4-phenylbenzoyl)-1,4-diazepan-5-one is Cc1cccn2cc(CN3CCN(C(=O)c4ccc(-c5ccccc5)cc4)CCC3=O)nc12.
What is the InChIKey of 4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1-(4-phenylbenzoyl)-1,4-diazepan-5-one?
The InChIKey is JOQDSECLODBTCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N4O2/c1-20-6-5-14-31-19-24(28-26(20)31)18-30-17-16-29(15-13-25(30)32)27(33)23-11-9-22(10-12-23)21-7-3-2-4-8-21/h2-12,14,19H,13,15-18H2,1H3.
What are the key properties of 4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1-(4-phenylbenzoyl)-1,4-diazepan-5-one?
4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1-(4-phenylbenzoyl)-1,4-diazepan-5-one has a molecular weight of 438.53 g/mol, XLogP of 4.18, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1-(4-phenylbenzoyl)-1,4-diazepan-5-one is sourced from PubChem (CID 118758913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).