4-(1H-indazole-3-carbonyl)-1-methyl-1,4-diazepan-2-one

C14H16N4O2 — CID 102847847

IUPAC4-(1H-indazole-3-carbonyl)-1-methyl-1,4-diazepan-2-one
SMILESCN1CCCN(C(=O)c2n[nH]c3ccccc23)CC1=O
InChIInChI=1S/C14H16N4O2/c1-17-7-4-8-18(9-12(17)19)14(20)13-10-5-2-3-6-11(10)15-16-13/h2-3,5-6H,4,7-9H2,1H3,(H,15,16)
InChIKeyDUPQMMXDXXAYCT-UHFFFAOYSA-N
MW272.31 g/mol
LogP0.87
Rot. Bonds1

About 4-(1H-indazole-3-carbonyl)-1-methyl-1,4-diazepan-2-one

4-(1H-indazole-3-carbonyl)-1-methyl-1,4-diazepan-2-one (PubChem CID 102847847) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is 4-(1H-indazole-3-carbonyl)-1-methyl-1,4-diazepan-2-one.

Molecular Properties

Compound Name4-(1H-indazole-3-carbonyl)-1-methyl-1,4-diazepan-2-one
PubChem CID102847847
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Name4-(1H-indazole-3-carbonyl)-1-methyl-1,4-diazepan-2-one
SMILESCN1CCCN(C(=O)c2n[nH]c3ccccc23)CC1=O
InChIInChI=1S/C14H16N4O2/c1-17-7-4-8-18(9-12(17)19)14(20)13-10-5-2-3-6-11(10)15-16-13/h2-3,5-6H,4,7-9H2,1H3,(H,15,16)
InChIKeyDUPQMMXDXXAYCT-UHFFFAOYSA-N
XLogP0.87
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(1H-indazole-3-carbonyl)piperazin-1-yl]-(1H-indazol-3-yl)methanone
CID 170858800
2-(1H-indazole-3-carbonyl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one
CID 45232149
(4-cyclopropyl-1,4-diazepan-1-yl)-(1H-indazol-3-yl)methanone
CID 49077810
7-(1H-indazole-3-carbonyl)-3-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one
CID 154745769
(3,4-dimethylpiperazin-1-yl)-(1H-indazol-3-yl)methanone
CID 64982606
1-(azepan-1-yl)-2-[4-(1H-indazole-3-carbonyl)piperazin-1-yl]ethanone
CID 17407477
3-[4-(2-chlorobenzoyl)-1,4-diazepane-1-carbonyl]-1H-cinnolin-4-one
CID 86937466
1H-indazol-3-yl-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]methanone
CID 30951232
1H-indazol-3-yl(pyrazolidin-1-yl)methanone
CID 170858238
(3,5-dimethylpiperazin-1-yl)-(1H-indazol-3-yl)methanone
CID 63873666
1H-indazol-3-yl-(4-phenylpiperazin-1-yl)methanone
CID 7595065
1-(1H-indazole-3-carbonyl)-1,4-diazepan-5-one
CID 62045249

Frequently Asked Questions

What is the IUPAC name of 4-(1H-indazole-3-carbonyl)-1-methyl-1,4-diazepan-2-one?
The IUPAC name of 4-(1H-indazole-3-carbonyl)-1-methyl-1,4-diazepan-2-one (CID 102847847) is 4-(1H-indazole-3-carbonyl)-1-methyl-1,4-diazepan-2-one.
What is the SMILES notation for 4-(1H-indazole-3-carbonyl)-1-methyl-1,4-diazepan-2-one?
The canonical SMILES for 4-(1H-indazole-3-carbonyl)-1-methyl-1,4-diazepan-2-one is CN1CCCN(C(=O)c2n[nH]c3ccccc23)CC1=O.
What is the InChIKey of 4-(1H-indazole-3-carbonyl)-1-methyl-1,4-diazepan-2-one?
The InChIKey is DUPQMMXDXXAYCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-17-7-4-8-18(9-12(17)19)14(20)13-10-5-2-3-6-11(10)15-16-13/h2-3,5-6H,4,7-9H2,1H3,(H,15,16).
What are the key properties of 4-(1H-indazole-3-carbonyl)-1-methyl-1,4-diazepan-2-one?
4-(1H-indazole-3-carbonyl)-1-methyl-1,4-diazepan-2-one has a molecular weight of 272.31 g/mol, XLogP of 0.87, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indazole-3-carbonyl)-1-methyl-1,4-diazepan-2-one is sourced from PubChem (CID 102847847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).