1-[2-[5-(3-chloro-4-methoxyphenyl)-3-pyridin-4-yl-1,2,4-triazol-1-yl]ethyl]-1-cyclopentyl-3-propylurea

C25H31ClN6O2 — CID 67521893

IUPAC1-[2-[5-(3-chloro-4-methoxyphenyl)-3-pyridin-4-yl-1,2,4-triazol-1-yl]ethyl]-1-cyclopentyl-3-propylurea
SMILESCCCNC(=O)N(CCn1nc(-c2ccncc2)nc1-c1ccc(OC)c(Cl)c1)C1CCCC1
InChIInChI=1S/C25H31ClN6O2/c1-3-12-28-25(33)31(20-6-4-5-7-20)15-16-32-24(19-8-9-22(34-2)21(26)17-19)29-23(30-32)18-10-13-27-14-11-18/h8-11,13-14,17,20H,3-7,12,15-16H2,1-2H3,(H,28,33)
InChIKeyHAAVORHDMNGYOQ-UHFFFAOYSA-N
MW483.02 g/mol
LogP5.03
Rot. Bonds9

About 1-[2-[5-(3-chloro-4-methoxyphenyl)-3-pyridin-4-yl-1,2,4-triazol-1-yl]ethyl]-1-cyclopentyl-3-propylurea

1-[2-[5-(3-chloro-4-methoxyphenyl)-3-pyridin-4-yl-1,2,4-triazol-1-yl]ethyl]-1-cyclopentyl-3-propylurea (PubChem CID 67521893) has the molecular formula C25H31ClN6O2 and a molecular weight of 483.02 g/mol. Its IUPAC name is 1-[2-[5-(3-chloro-4-methoxyphenyl)-3-pyridin-4-yl-1,2,4-triazol-1-yl]ethyl]-1-cyclopentyl-3-propylurea.

Molecular Properties

Compound Name1-[2-[5-(3-chloro-4-methoxyphenyl)-3-pyridin-4-yl-1,2,4-triazol-1-yl]ethyl]-1-cyclopentyl-3-propylurea
PubChem CID67521893
Molecular FormulaC25H31ClN6O2
Molecular Weight483.02 g/mol
Exact Mass482.22
IUPAC Name1-[2-[5-(3-chloro-4-methoxyphenyl)-3-pyridin-4-yl-1,2,4-triazol-1-yl]ethyl]-1-cyclopentyl-3-propylurea
SMILESCCCNC(=O)N(CCn1nc(-c2ccncc2)nc1-c1ccc(OC)c(Cl)c1)C1CCCC1
InChIInChI=1S/C25H31ClN6O2/c1-3-12-28-25(33)31(20-6-4-5-7-20)15-16-32-24(19-8-9-22(34-2)21(26)17-19)29-23(30-32)18-10-13-27-14-11-18/h8-11,13-14,17,20H,3-7,12,15-16H2,1-2H3,(H,28,33)
InChIKeyHAAVORHDMNGYOQ-UHFFFAOYSA-N
XLogP5.03
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.02
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[2-[5-(3-chloro-4-methoxyphenyl)-3-pyridin-4-yl-1,2,4-triazol-1-yl]ethyl]-1-cyclopentyl-3-propylurea 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

1-[2-[5-(3-chloro-4-methoxyphenyl)-3-pyridin-4-yl-1,2,4-triazol-1-yl]ethyl]-1-cyclopentyl-3-(2,4,6-trichlorophenyl)urea
CID 67522057
1-[2-[5-(3-chloro-4-methoxyphenyl)-3-pyridin-4-yl-1,2,4-triazol-1-yl]ethyl]-1-cyclopentyl-3-(4-iodophenyl)urea
CID 67521456
1-[2-[5-(3-chloro-4-methoxyphenyl)-3-pyridin-4-yl-1,2,4-triazol-1-yl]ethyl]-1-cyclopentyl-3-(2,5-dimethoxyphenyl)urea
CID 67521784
N-[2-[5-(3-chloro-4-methoxyphenyl)-3-pyridin-4-yl-1,2,4-triazol-1-yl]ethyl]-N-cyclopentyl-3-methoxy-4-methylbenzamide
CID 67521710
N-[2-[5-(3-chloro-4-methoxyphenyl)-3-pyridin-4-yl-1,2,4-triazol-1-yl]ethyl]-N-cyclopentyl-3,5-dimethylbenzamide
CID 67522028
1-[2-[5-(3-chloro-4-methoxyphenyl)-3-pyridin-4-yl-1,2,4-triazol-1-yl]ethyl]-1-cyclopentyl-3-(3-fluorophenyl)urea
CID 67522019
1-[2-[5-(3-chloro-4-methoxyphenyl)-3-pyridin-4-yl-1,2,4-triazol-1-yl]ethyl]-1-cyclopentyl-3-(2-propan-2-ylphenyl)urea
CID 67521625
1-[2-[5-(3-chloro-4-methoxyphenyl)-3-pyridin-4-yl-1,2,4-triazol-1-yl]ethyl]-3-(4-cyanophenyl)-1-cyclopentylurea
CID 67522217
3-bromo-N-[2-[5-(3-chloro-4-methoxyphenyl)-3-pyridin-4-yl-1,2,4-triazol-1-yl]ethyl]-N-cyclopentyl-4-methoxybenzamide
CID 67522097
5-chloro-N-[2-[5-(3-chloro-4-methoxyphenyl)-3-pyridin-4-yl-1,2,4-triazol-1-yl]ethyl]-N-cyclopentylthiophene-2-carboxamide
CID 67521663
N-[2-[5-(3-chloro-4-methoxyphenyl)-3-pyridin-4-yl-1,2,4-triazol-1-yl]ethyl]-N-cyclopentyl-5-oxopyrrolidine-2-carboxamide
CID 67521888
N-[2-[5-(3-chloro-4-methoxyphenyl)-3-pyridin-4-yl-1,2,4-triazol-1-yl]ethyl]-N-cyclopentyl-2-(4-methylsulfanylphenyl)acetamide
CID 67522121

Frequently Asked Questions

What is the IUPAC name of 1-[2-[5-(3-chloro-4-methoxyphenyl)-3-pyridin-4-yl-1,2,4-triazol-1-yl]ethyl]-1-cyclopentyl-3-propylurea?
The IUPAC name of 1-[2-[5-(3-chloro-4-methoxyphenyl)-3-pyridin-4-yl-1,2,4-triazol-1-yl]ethyl]-1-cyclopentyl-3-propylurea (CID 67521893) is 1-[2-[5-(3-chloro-4-methoxyphenyl)-3-pyridin-4-yl-1,2,4-triazol-1-yl]ethyl]-1-cyclopentyl-3-propylurea.
What is the SMILES notation for 1-[2-[5-(3-chloro-4-methoxyphenyl)-3-pyridin-4-yl-1,2,4-triazol-1-yl]ethyl]-1-cyclopentyl-3-propylurea?
The canonical SMILES for 1-[2-[5-(3-chloro-4-methoxyphenyl)-3-pyridin-4-yl-1,2,4-triazol-1-yl]ethyl]-1-cyclopentyl-3-propylurea is CCCNC(=O)N(CCn1nc(-c2ccncc2)nc1-c1ccc(OC)c(Cl)c1)C1CCCC1.
What is the InChIKey of 1-[2-[5-(3-chloro-4-methoxyphenyl)-3-pyridin-4-yl-1,2,4-triazol-1-yl]ethyl]-1-cyclopentyl-3-propylurea?
The InChIKey is HAAVORHDMNGYOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31ClN6O2/c1-3-12-28-25(33)31(20-6-4-5-7-20)15-16-32-24(19-8-9-22(34-2)21(26)17-19)29-23(30-32)18-10-13-27-14-11-18/h8-11,13-14,17,20H,3-7,12,15-16H2,1-2H3,(H,28,33).
What are the key properties of 1-[2-[5-(3-chloro-4-methoxyphenyl)-3-pyridin-4-yl-1,2,4-triazol-1-yl]ethyl]-1-cyclopentyl-3-propylurea?
1-[2-[5-(3-chloro-4-methoxyphenyl)-3-pyridin-4-yl-1,2,4-triazol-1-yl]ethyl]-1-cyclopentyl-3-propylurea has a molecular weight of 483.02 g/mol, XLogP of 5.03, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[5-(3-chloro-4-methoxyphenyl)-3-pyridin-4-yl-1,2,4-triazol-1-yl]ethyl]-1-cyclopentyl-3-propylurea is sourced from PubChem (CID 67521893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).