2-(8-methylimidazo[1,2-a]pyridin-3-yl)-1-(4-phenyl-1,4-diazepan-1-yl)ethanone

C21H24N4O — CID 70704986

IUPAC2-(8-methylimidazo[1,2-a]pyridin-3-yl)-1-(4-phenyl-1,4-diazepan-1-yl)ethanone
SMILESCc1cccn2c(CC(=O)N3CCCN(c4ccccc4)CC3)cnc12
InChIInChI=1S/C21H24N4O/c1-17-7-5-12-25-19(16-22-21(17)25)15-20(26)24-11-6-10-23(13-14-24)18-8-3-2-4-9-18/h2-5,7-9,12,16H,6,10-11,13-15H2,1H3
InChIKeyDKEXMGWWRQPYSP-UHFFFAOYSA-N
MW348.45 g/mol
LogP2.92
Rot. Bonds3

About 2-(8-methylimidazo[1,2-a]pyridin-3-yl)-1-(4-phenyl-1,4-diazepan-1-yl)ethanone

2-(8-methylimidazo[1,2-a]pyridin-3-yl)-1-(4-phenyl-1,4-diazepan-1-yl)ethanone (PubChem CID 70704986) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is 2-(8-methylimidazo[1,2-a]pyridin-3-yl)-1-(4-phenyl-1,4-diazepan-1-yl)ethanone.

Molecular Properties

Compound Name2-(8-methylimidazo[1,2-a]pyridin-3-yl)-1-(4-phenyl-1,4-diazepan-1-yl)ethanone
PubChem CID70704986
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC Name2-(8-methylimidazo[1,2-a]pyridin-3-yl)-1-(4-phenyl-1,4-diazepan-1-yl)ethanone
SMILESCc1cccn2c(CC(=O)N3CCCN(c4ccccc4)CC3)cnc12
InChIInChI=1S/C21H24N4O/c1-17-7-5-12-25-19(16-22-21(17)25)15-20(26)24-11-6-10-23(13-14-24)18-8-3-2-4-9-18/h2-5,7-9,12,16H,6,10-11,13-15H2,1H3
InChIKeyDKEXMGWWRQPYSP-UHFFFAOYSA-N
XLogP2.92
TPSA40.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[(2-fluorophenyl)methyl]-1,4-diazepan-1-yl]-2-(8-methylimidazo[1,2-a]pyridin-3-yl)ethanone
CID 70723716
2-(8-methylimidazo[1,2-a]pyridin-3-yl)-1-[4-(oxolan-3-yl)-1,4-diazepan-1-yl]ethanone
CID 166616819
2-(8-methylimidazo[1,2-a]pyridin-3-yl)-1-[4-(thiolan-3-yl)-1,4-diazepan-1-yl]ethanone
CID 138806168
1-[1-[2-(8-methylimidazo[1,2-a]pyridin-3-yl)acetyl]piperidin-4-yl]pyrrolidin-2-one
CID 56880147
2-(8-methylimidazo[1,2-a]pyridin-3-yl)-1-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]ethanone
CID 131939331
1-(4-phenyl-1,4-diazepan-1-yl)-2-pyridin-4-ylethanone
CID 91781163
1-(4-phenyl-1,4-diazepan-1-yl)propan-1-one
CID 110873765
2-(8-methylimidazo[1,2-a]pyridin-3-yl)-1-[2-(pyrrolidine-1-carbonyl)piperazin-1-yl]ethanone
CID 56911408
1-[(1R,2S,3R,4R)-4-hydroxy-1-(hydroxymethyl)-2-phenyl-6-azaspiro[2.4]heptan-6-yl]-2-(8-methylimidazo[1,2-a]pyridin-3-yl)ethanone
CID 155504883
8a-ethyl-7-[2-(8-methylimidazo[1,2-a]pyridin-3-yl)acetyl]-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 154568563
2-(8-methylimidazo[1,2-a]pyridin-3-yl)-1-spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-ylethanone
CID 163315758
(5R)-3-methyl-7-[2-(8-methylimidazo[1,2-a]pyridin-3-yl)acetyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 95714736

Frequently Asked Questions

What is the IUPAC name of 2-(8-methylimidazo[1,2-a]pyridin-3-yl)-1-(4-phenyl-1,4-diazepan-1-yl)ethanone?
The IUPAC name of 2-(8-methylimidazo[1,2-a]pyridin-3-yl)-1-(4-phenyl-1,4-diazepan-1-yl)ethanone (CID 70704986) is 2-(8-methylimidazo[1,2-a]pyridin-3-yl)-1-(4-phenyl-1,4-diazepan-1-yl)ethanone.
What is the SMILES notation for 2-(8-methylimidazo[1,2-a]pyridin-3-yl)-1-(4-phenyl-1,4-diazepan-1-yl)ethanone?
The canonical SMILES for 2-(8-methylimidazo[1,2-a]pyridin-3-yl)-1-(4-phenyl-1,4-diazepan-1-yl)ethanone is Cc1cccn2c(CC(=O)N3CCCN(c4ccccc4)CC3)cnc12.
What is the InChIKey of 2-(8-methylimidazo[1,2-a]pyridin-3-yl)-1-(4-phenyl-1,4-diazepan-1-yl)ethanone?
The InChIKey is DKEXMGWWRQPYSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O/c1-17-7-5-12-25-19(16-22-21(17)25)15-20(26)24-11-6-10-23(13-14-24)18-8-3-2-4-9-18/h2-5,7-9,12,16H,6,10-11,13-15H2,1H3.
What are the key properties of 2-(8-methylimidazo[1,2-a]pyridin-3-yl)-1-(4-phenyl-1,4-diazepan-1-yl)ethanone?
2-(8-methylimidazo[1,2-a]pyridin-3-yl)-1-(4-phenyl-1,4-diazepan-1-yl)ethanone has a molecular weight of 348.45 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-methylimidazo[1,2-a]pyridin-3-yl)-1-(4-phenyl-1,4-diazepan-1-yl)ethanone is sourced from PubChem (CID 70704986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).