1-(cyclopentylmethyl)-1-(1,3-dimethylindazol-6-yl)-3-[3-(5-methylimidazol-1-yl)propyl]urea

C23H32N6O — CID 171349836

IUPAC1-(cyclopentylmethyl)-1-(1,3-dimethylindazol-6-yl)-3-[3-(5-methylimidazol-1-yl)propyl]urea
SMILESCc1nn(C)c2cc(N(CC3CCCC3)C(=O)NCCCn3cncc3C)ccc12
InChIInChI=1S/C23H32N6O/c1-17-14-24-16-28(17)12-6-11-25-23(30)29(15-19-7-4-5-8-19)20-9-10-21-18(2)26-27(3)22(21)13-20/h9-10,13-14,16,19H,4-8,11-12,15H2,1-3H3,(H,25,30)
InChIKeyJJLGBUJTSJJZBF-UHFFFAOYSA-N
MW408.55 g/mol
LogP4.18
Rot. Bonds7

About 1-(cyclopentylmethyl)-1-(1,3-dimethylindazol-6-yl)-3-[3-(5-methylimidazol-1-yl)propyl]urea

1-(cyclopentylmethyl)-1-(1,3-dimethylindazol-6-yl)-3-[3-(5-methylimidazol-1-yl)propyl]urea (PubChem CID 171349836) has the molecular formula C23H32N6O and a molecular weight of 408.55 g/mol. Its IUPAC name is 1-(cyclopentylmethyl)-1-(1,3-dimethylindazol-6-yl)-3-[3-(5-methylimidazol-1-yl)propyl]urea.

Molecular Properties

Compound Name1-(cyclopentylmethyl)-1-(1,3-dimethylindazol-6-yl)-3-[3-(5-methylimidazol-1-yl)propyl]urea
PubChem CID171349836
Molecular FormulaC23H32N6O
Molecular Weight408.55 g/mol
Exact Mass408.26
IUPAC Name1-(cyclopentylmethyl)-1-(1,3-dimethylindazol-6-yl)-3-[3-(5-methylimidazol-1-yl)propyl]urea
SMILESCc1nn(C)c2cc(N(CC3CCCC3)C(=O)NCCCn3cncc3C)ccc12
InChIInChI=1S/C23H32N6O/c1-17-14-24-16-28(17)12-6-11-25-23(30)29(15-19-7-4-5-8-19)20-9-10-21-18(2)26-27(3)22(21)13-20/h9-10,13-14,16,19H,4-8,11-12,15H2,1-3H3,(H,25,30)
InChIKeyJJLGBUJTSJJZBF-UHFFFAOYSA-N
XLogP4.18
TPSA67.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.55
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-(cyclopentylmethyl)-1-(1,3-dimethylindazol-6-yl)-3-[3-(5-methylimidazol-1-yl)propyl]urea 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

3-ethyl-1-[7-(1H-pyrazol-1-yl)-5-(pyridin-3-yl)-1H-1,3-benzodiazol-2-yl]urea
CID 11314018
3-ethyl-1-[7-(1H-pyrazol-1-yl)-5-(pyrimidin-5-yl)-1H-1,3-benzodiazol-2-yl]urea
CID 11393909
N-[5-({3-Cyano-7-[(1-Methyl-1h-Imidazol-4-Yl)amino]pyrazolo[1,5-A]pyrimidin-5-Yl}amino)-2-Methylphenyl]acetamide
CID 72164045
N-[1-(1-methylimidazol-2-yl)-2-(7-methyl-1H-indazol-5-yl)ethyl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide
CID 11785573
3-(cyclohexylmethyl)-5-(1H-indazol-5-yl)-1H-imidazo[4,5-b]pyrazin-2-one
CID 24985365
2-(4-(4-fluorophenyl)-5-(1H-indazol-5-yl)-1H-imidazol-1-yl)-N,N-dimethylethanamine
CID 25165279
2-(1h-Indazol-5-yl)-n-isopropylimidazo[1,2-a]pyrimidin-3-amine
CID 25167074
n-Butyl-2-(1h-indazol-5-yl)imidazo[1,2-a]pyrimidin-3-amine
CID 25167277
N-[1-[3-cyano-7-(2-pyrrolidin-1-ylethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]indol-6-yl]acetamide
CID 70696864
N-[1-[3-cyano-7-[3-(dimethylamino)propylamino]pyrazolo[1,5-a]pyrimidin-5-yl]indol-6-yl]acetamide
CID 70696865
1-ethyl-3-[6-(2-ethylpyrazol-3-yl)-1H-benzimidazol-2-yl]urea
CID 71655465
N2-(4-amino-cyclohexyl)-9-cyclopentyl-N6-(4-pyrazol-1-yl-benzyl)-9H-purine-2,6-diamine
CID 71817646

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopentylmethyl)-1-(1,3-dimethylindazol-6-yl)-3-[3-(5-methylimidazol-1-yl)propyl]urea?
The IUPAC name of 1-(cyclopentylmethyl)-1-(1,3-dimethylindazol-6-yl)-3-[3-(5-methylimidazol-1-yl)propyl]urea (CID 171349836) is 1-(cyclopentylmethyl)-1-(1,3-dimethylindazol-6-yl)-3-[3-(5-methylimidazol-1-yl)propyl]urea.
What is the SMILES notation for 1-(cyclopentylmethyl)-1-(1,3-dimethylindazol-6-yl)-3-[3-(5-methylimidazol-1-yl)propyl]urea?
The canonical SMILES for 1-(cyclopentylmethyl)-1-(1,3-dimethylindazol-6-yl)-3-[3-(5-methylimidazol-1-yl)propyl]urea is Cc1nn(C)c2cc(N(CC3CCCC3)C(=O)NCCCn3cncc3C)ccc12.
What is the InChIKey of 1-(cyclopentylmethyl)-1-(1,3-dimethylindazol-6-yl)-3-[3-(5-methylimidazol-1-yl)propyl]urea?
The InChIKey is JJLGBUJTSJJZBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N6O/c1-17-14-24-16-28(17)12-6-11-25-23(30)29(15-19-7-4-5-8-19)20-9-10-21-18(2)26-27(3)22(21)13-20/h9-10,13-14,16,19H,4-8,11-12,15H2,1-3H3,(H,25,30).
What are the key properties of 1-(cyclopentylmethyl)-1-(1,3-dimethylindazol-6-yl)-3-[3-(5-methylimidazol-1-yl)propyl]urea?
1-(cyclopentylmethyl)-1-(1,3-dimethylindazol-6-yl)-3-[3-(5-methylimidazol-1-yl)propyl]urea has a molecular weight of 408.55 g/mol, XLogP of 4.18, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopentylmethyl)-1-(1,3-dimethylindazol-6-yl)-3-[3-(5-methylimidazol-1-yl)propyl]urea is sourced from PubChem (CID 171349836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).