1-(azepan-1-yl)-2-[4-(1H-indazole-3-carbonyl)piperazin-1-yl]ethanone

C20H27N5O2 — CID 17407477

IUPAC1-(azepan-1-yl)-2-[4-(1H-indazole-3-carbonyl)piperazin-1-yl]ethanone
SMILESO=C(CN1CCN(C(=O)c2n[nH]c3ccccc23)CC1)N1CCCCCC1
InChIInChI=1S/C20H27N5O2/c26-18(24-9-5-1-2-6-10-24)15-23-11-13-25(14-12-23)20(27)19-16-7-3-4-8-17(16)21-22-19/h3-4,7-8H,1-2,5-6,9-15H2,(H,21,22)
InChIKeyJDDYAAWTJQZFGN-UHFFFAOYSA-N
MW369.47 g/mol
LogP1.72
Rot. Bonds3

About 1-(azepan-1-yl)-2-[4-(1H-indazole-3-carbonyl)piperazin-1-yl]ethanone

1-(azepan-1-yl)-2-[4-(1H-indazole-3-carbonyl)piperazin-1-yl]ethanone (PubChem CID 17407477) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is 1-(azepan-1-yl)-2-[4-(1H-indazole-3-carbonyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-(azepan-1-yl)-2-[4-(1H-indazole-3-carbonyl)piperazin-1-yl]ethanone
PubChem CID17407477
Molecular FormulaC20H27N5O2
Molecular Weight369.47 g/mol
Exact Mass369.22
IUPAC Name1-(azepan-1-yl)-2-[4-(1H-indazole-3-carbonyl)piperazin-1-yl]ethanone
SMILESO=C(CN1CCN(C(=O)c2n[nH]c3ccccc23)CC1)N1CCCCCC1
InChIInChI=1S/C20H27N5O2/c26-18(24-9-5-1-2-6-10-24)15-23-11-13-25(14-12-23)20(27)19-16-7-3-4-8-17(16)21-22-19/h3-4,7-8H,1-2,5-6,9-15H2,(H,21,22)
InChIKeyJDDYAAWTJQZFGN-UHFFFAOYSA-N
XLogP1.72
TPSA72.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(azepan-1-yl)-2-[4-(1H-indazole-3-carbonyl)piperazin-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-(1H-indazole-3-carbonyl)piperazin-1-yl]-(1H-indazol-3-yl)methanone
CID 170858800
3-amino-1-[4-(1H-indazole-3-carbonyl)piperazin-1-yl]propan-1-one
CID 170858311
1-(azepan-1-yl)-2-[4-(isoquinoline-1-carbonyl)piperazin-1-yl]ethanone
CID 60602385
1H-indazol-3-yl-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]methanone
CID 30951232
(4-cyclopropyl-1,4-diazepan-1-yl)-(1H-indazol-3-yl)methanone
CID 49077810
1H-indazol-3-yl-(4-phenylpiperazin-1-yl)methanone
CID 7595065
4-amino-1-[4-(1H-indazole-3-carbonyl)piperazin-1-yl]-3-methylbutan-1-one
CID 170858451
2-[4-(3-bromo-1H-indole-2-carbonyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 55913568
3-[4-(2-chlorobenzoyl)-1,4-diazepane-1-carbonyl]-1H-cinnolin-4-one
CID 86937466
2-[(1S)-cyclopent-2-en-1-yl]-1-[4-(1H-indazole-3-carbonyl)piperazin-1-yl]ethanone
CID 95294822
1-[4-(1H-indazole-3-carbonyl)piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione
CID 41363693
[4-(hydroxymethyl)piperidin-1-yl]-(1H-indazol-3-yl)methanone
CID 54878386

Frequently Asked Questions

What is the IUPAC name of 1-(azepan-1-yl)-2-[4-(1H-indazole-3-carbonyl)piperazin-1-yl]ethanone?
The IUPAC name of 1-(azepan-1-yl)-2-[4-(1H-indazole-3-carbonyl)piperazin-1-yl]ethanone (CID 17407477) is 1-(azepan-1-yl)-2-[4-(1H-indazole-3-carbonyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-(azepan-1-yl)-2-[4-(1H-indazole-3-carbonyl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-(azepan-1-yl)-2-[4-(1H-indazole-3-carbonyl)piperazin-1-yl]ethanone is O=C(CN1CCN(C(=O)c2n[nH]c3ccccc23)CC1)N1CCCCCC1.
What is the InChIKey of 1-(azepan-1-yl)-2-[4-(1H-indazole-3-carbonyl)piperazin-1-yl]ethanone?
The InChIKey is JDDYAAWTJQZFGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O2/c26-18(24-9-5-1-2-6-10-24)15-23-11-13-25(14-12-23)20(27)19-16-7-3-4-8-17(16)21-22-19/h3-4,7-8H,1-2,5-6,9-15H2,(H,21,22).
What are the key properties of 1-(azepan-1-yl)-2-[4-(1H-indazole-3-carbonyl)piperazin-1-yl]ethanone?
1-(azepan-1-yl)-2-[4-(1H-indazole-3-carbonyl)piperazin-1-yl]ethanone has a molecular weight of 369.47 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azepan-1-yl)-2-[4-(1H-indazole-3-carbonyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 17407477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).