1H-indazol-3-yl-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]methanone

C21H24N4O — CID 30951232

IUPAC1H-indazol-3-yl-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]methanone
SMILESCc1ccc(CN2CCCN(C(=O)c3n[nH]c4ccccc34)CC2)cc1
InChIInChI=1S/C21H24N4O/c1-16-7-9-17(10-8-16)15-24-11-4-12-25(14-13-24)21(26)20-18-5-2-3-6-19(18)22-23-20/h2-3,5-10H,4,11-15H2,1H3,(H,22,23)
InChIKeyFRYDSTIEXHMIGX-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.22
Rot. Bonds3

About 1H-indazol-3-yl-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]methanone

1H-indazol-3-yl-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]methanone (PubChem CID 30951232) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is 1H-indazol-3-yl-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]methanone.

Molecular Properties

Compound Name1H-indazol-3-yl-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]methanone
PubChem CID30951232
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC Name1H-indazol-3-yl-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]methanone
SMILESCc1ccc(CN2CCCN(C(=O)c3n[nH]c4ccccc34)CC2)cc1
InChIInChI=1S/C21H24N4O/c1-16-7-9-17(10-8-16)15-24-11-4-12-25(14-13-24)21(26)20-18-5-2-3-6-19(18)22-23-20/h2-3,5-10H,4,11-15H2,1H3,(H,22,23)
InChIKeyFRYDSTIEXHMIGX-UHFFFAOYSA-N
XLogP3.22
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1H-indazol-3-yl-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]methanone 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-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-(5-methyl-1H-indazol-3-yl)methanone
CID 78868617
[4-(1H-indazole-3-carbonyl)piperazin-1-yl]-(1H-indazol-3-yl)methanone
CID 170858800
[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-(1H-indazol-3-yl)methanone
CID 31332821
1H-indazol-3-yl-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]methanone
CID 37358947
[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(1H-indazol-3-yl)methanone
CID 2474731
1-(azepan-1-yl)-2-[4-(1H-indazole-3-carbonyl)piperazin-1-yl]ethanone
CID 17407477
(4-benzyl-1,4-diazepan-1-yl)-(4-methylphenyl)methanone
CID 23738787
(4,5-dibromo-1H-pyrazol-3-yl)-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanone
CID 19297149
1H-indazol-3-yl-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
CID 9021232
(4-cyclopropyl-1,4-diazepan-1-yl)-(1H-indazol-3-yl)methanone
CID 49077810
1H-indazol-3-yl-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]methanone
CID 60595450
3-[4-(2-chlorobenzoyl)-1,4-diazepane-1-carbonyl]-1H-cinnolin-4-one
CID 86937466

Frequently Asked Questions

What is the IUPAC name of 1H-indazol-3-yl-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]methanone?
The IUPAC name of 1H-indazol-3-yl-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]methanone (CID 30951232) is 1H-indazol-3-yl-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]methanone.
What is the SMILES notation for 1H-indazol-3-yl-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]methanone?
The canonical SMILES for 1H-indazol-3-yl-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]methanone is Cc1ccc(CN2CCCN(C(=O)c3n[nH]c4ccccc34)CC2)cc1.
What is the InChIKey of 1H-indazol-3-yl-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]methanone?
The InChIKey is FRYDSTIEXHMIGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O/c1-16-7-9-17(10-8-16)15-24-11-4-12-25(14-13-24)21(26)20-18-5-2-3-6-19(18)22-23-20/h2-3,5-10H,4,11-15H2,1H3,(H,22,23).
What are the key properties of 1H-indazol-3-yl-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]methanone?
1H-indazol-3-yl-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]methanone has a molecular weight of 348.45 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indazol-3-yl-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]methanone is sourced from PubChem (CID 30951232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).