1-(imidazo[1,2-a]pyridine-2-carbonyl)-4-(naphthalen-2-ylmethyl)-1,4-diazepan-5-one

C24H22N4O2 — CID 26400042

IUPAC1-(imidazo[1,2-a]pyridine-2-carbonyl)-4-(naphthalen-2-ylmethyl)-1,4-diazepan-5-one
SMILESO=C1CCN(C(=O)c2cn3ccccc3n2)CCN1Cc1ccc2ccccc2c1
InChIInChI=1S/C24H22N4O2/c29-23-10-12-26(24(30)21-17-27-11-4-3-7-22(27)25-21)13-14-28(23)16-18-8-9-19-5-1-2-6-20(19)15-18/h1-9,11,15,17H,10,12-14,16H2
InChIKeyWACNZODEMSMBGO-UHFFFAOYSA-N
MW398.47 g/mol
LogP3.36
Rot. Bonds3

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

1-(imidazo[1,2-a]pyridine-2-carbonyl)-4-(naphthalen-2-ylmethyl)-1,4-diazepan-5-one (PubChem CID 26400042) has the molecular formula C24H22N4O2 and a molecular weight of 398.47 g/mol. Its IUPAC name is 1-(imidazo[1,2-a]pyridine-2-carbonyl)-4-(naphthalen-2-ylmethyl)-1,4-diazepan-5-one.

Molecular Properties

Compound Name1-(imidazo[1,2-a]pyridine-2-carbonyl)-4-(naphthalen-2-ylmethyl)-1,4-diazepan-5-one
PubChem CID26400042
Molecular FormulaC24H22N4O2
Molecular Weight398.47 g/mol
Exact Mass398.17
IUPAC Name1-(imidazo[1,2-a]pyridine-2-carbonyl)-4-(naphthalen-2-ylmethyl)-1,4-diazepan-5-one
SMILESO=C1CCN(C(=O)c2cn3ccccc3n2)CCN1Cc1ccc2ccccc2c1
InChIInChI=1S/C24H22N4O2/c29-23-10-12-26(24(30)21-17-27-11-4-3-7-22(27)25-21)13-14-28(23)16-18-8-9-19-5-1-2-6-20(19)15-18/h1-9,11,15,17H,10,12-14,16H2
InChIKeyWACNZODEMSMBGO-UHFFFAOYSA-N
XLogP3.36
TPSA57.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methyl-3H-benzimidazole-5-carbonyl)-4-(naphthalen-2-ylmethyl)-1,4-diazepan-5-one
CID 42276396
4-(naphthalen-2-ylmethyl)-1-[3-(2-oxopyrrolidin-1-yl)benzoyl]-1,4-diazepan-5-one
CID 118757851
[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-imidazo[1,2-a]pyridin-2-ylmethanone
CID 42884687
[(3S)-1-(imidazo[1,2-a]pyridine-2-carbonyl)piperidin-3-yl]-naphthalen-2-ylmethanone
CID 42518126
2-[1-(imidazo[1,2-a]pyridine-2-carbonyl)piperidin-4-yl]acetic acid
CID 79612699
1-[4-[[4-(imidazo[1,2-a]pyridine-2-carbonyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]piperazin-1-yl]ethanone
CID 29219520
[4-(2,5-dimethylphenyl)piperazin-1-yl]-imidazo[1,2-a]pyridin-2-ylmethanone
CID 87051259
4-(imidazo[1,2-a]pyridine-2-carbonyl)-1-(3-methoxyphenyl)piperazin-2-one;2,2,2-trifluoroacetic acid
CID 154885622
1-[3-(3,4-dimethoxyphenyl)prop-2-enoyl]-4-(naphthalen-2-ylmethyl)-1,4-diazepan-5-one
CID 171134729
4-[(4-methoxyphenyl)methyl]-1-(naphthalene-1-carbonyl)-1,4-diazepan-5-one
CID 26346067
4-(imidazo[1,2-a]pyridin-2-ylmethyl)-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]piperazine-1-carboxamide
CID 112835915
2,3-dihydroindol-1-yl(imidazo[1,2-a]pyridin-2-yl)methanone
CID 25341942

Frequently Asked Questions

What is the IUPAC name of 1-(imidazo[1,2-a]pyridine-2-carbonyl)-4-(naphthalen-2-ylmethyl)-1,4-diazepan-5-one?
The IUPAC name of 1-(imidazo[1,2-a]pyridine-2-carbonyl)-4-(naphthalen-2-ylmethyl)-1,4-diazepan-5-one (CID 26400042) is 1-(imidazo[1,2-a]pyridine-2-carbonyl)-4-(naphthalen-2-ylmethyl)-1,4-diazepan-5-one.
What is the SMILES notation for 1-(imidazo[1,2-a]pyridine-2-carbonyl)-4-(naphthalen-2-ylmethyl)-1,4-diazepan-5-one?
The canonical SMILES for 1-(imidazo[1,2-a]pyridine-2-carbonyl)-4-(naphthalen-2-ylmethyl)-1,4-diazepan-5-one is O=C1CCN(C(=O)c2cn3ccccc3n2)CCN1Cc1ccc2ccccc2c1.
What is the InChIKey of 1-(imidazo[1,2-a]pyridine-2-carbonyl)-4-(naphthalen-2-ylmethyl)-1,4-diazepan-5-one?
The InChIKey is WACNZODEMSMBGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O2/c29-23-10-12-26(24(30)21-17-27-11-4-3-7-22(27)25-21)13-14-28(23)16-18-8-9-19-5-1-2-6-20(19)15-18/h1-9,11,15,17H,10,12-14,16H2.
What are the key properties of 1-(imidazo[1,2-a]pyridine-2-carbonyl)-4-(naphthalen-2-ylmethyl)-1,4-diazepan-5-one?
1-(imidazo[1,2-a]pyridine-2-carbonyl)-4-(naphthalen-2-ylmethyl)-1,4-diazepan-5-one has a molecular weight of 398.47 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(imidazo[1,2-a]pyridine-2-carbonyl)-4-(naphthalen-2-ylmethyl)-1,4-diazepan-5-one is sourced from PubChem (CID 26400042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).