[2-(2-methoxyphenyl)pyrrolidin-1-yl]-(1-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)methanone

C24H22N4O2S — CID 166188039

IUPAC[2-(2-methoxyphenyl)pyrrolidin-1-yl]-(1-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)methanone
SMILESCOc1ccccc1C1CCCN1C(=O)c1nc(-c2cccs2)n(-c2ccccc2)n1
InChIInChI=1S/C24H22N4O2S/c1-30-20-13-6-5-11-18(20)19-12-7-15-27(19)24(29)22-25-23(21-14-8-16-31-21)28(26-22)17-9-3-2-4-10-17/h2-6,8-11,13-14,16,19H,7,12,15H2,1H3
InChIKeyXGQKOCLKBJMOKE-UHFFFAOYSA-N
MW430.53 g/mol
LogP4.98
Rot. Bonds5

About [2-(2-methoxyphenyl)pyrrolidin-1-yl]-(1-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)methanone

[2-(2-methoxyphenyl)pyrrolidin-1-yl]-(1-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)methanone (PubChem CID 166188039) has the molecular formula C24H22N4O2S and a molecular weight of 430.53 g/mol. Its IUPAC name is [2-(2-methoxyphenyl)pyrrolidin-1-yl]-(1-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)methanone.

Molecular Properties

Compound Name[2-(2-methoxyphenyl)pyrrolidin-1-yl]-(1-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)methanone
PubChem CID166188039
Molecular FormulaC24H22N4O2S
Molecular Weight430.53 g/mol
Exact Mass430.15
IUPAC Name[2-(2-methoxyphenyl)pyrrolidin-1-yl]-(1-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)methanone
SMILESCOc1ccccc1C1CCCN1C(=O)c1nc(-c2cccs2)n(-c2ccccc2)n1
InChIInChI=1S/C24H22N4O2S/c1-30-20-13-6-5-11-18(20)19-12-7-15-27(19)24(29)22-25-23(21-14-8-16-31-21)28(26-22)17-9-3-2-4-10-17/h2-6,8-11,13-14,16,19H,7,12,15H2,1H3
InChIKeyXGQKOCLKBJMOKE-UHFFFAOYSA-N
XLogP4.98
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.53
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [2-(2-methoxyphenyl)pyrrolidin-1-yl]-(1-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-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

9-azabicyclo[6.2.0]decan-9-yl-(1-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)methanone
CID 166222292
(3S)-1-(1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carbonyl)piperidine-3-carboxylic acid
CID 119174031
methyl 1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxylate
CID 13411643
1-[1-(3-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazole-3-carbonyl]pyrrolidine-2-carboxylic acid
CID 119356924
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(1-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)methanone
CID 42055114
[2-(2-methoxyphenyl)pyrrolidin-1-yl]-(4-propan-2-yl-1,3-thiazol-2-yl)methanone
CID 77087483
N-methoxy-N-methyl-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide
CID 46577778
N-[(8S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide
CID 96534362
methyl 4-phenyl-1-(1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carbonyl)piperidine-4-carboxylate
CID 55514001
[1-(3-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119650419
N-(2,5-dimethoxyphenyl)-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide
CID 42090253
N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide
CID 52584333

Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxyphenyl)pyrrolidin-1-yl]-(1-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)methanone?
The IUPAC name of [2-(2-methoxyphenyl)pyrrolidin-1-yl]-(1-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)methanone (CID 166188039) is [2-(2-methoxyphenyl)pyrrolidin-1-yl]-(1-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)methanone.
What is the SMILES notation for [2-(2-methoxyphenyl)pyrrolidin-1-yl]-(1-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)methanone?
The canonical SMILES for [2-(2-methoxyphenyl)pyrrolidin-1-yl]-(1-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)methanone is COc1ccccc1C1CCCN1C(=O)c1nc(-c2cccs2)n(-c2ccccc2)n1.
What is the InChIKey of [2-(2-methoxyphenyl)pyrrolidin-1-yl]-(1-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)methanone?
The InChIKey is XGQKOCLKBJMOKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O2S/c1-30-20-13-6-5-11-18(20)19-12-7-15-27(19)24(29)22-25-23(21-14-8-16-31-21)28(26-22)17-9-3-2-4-10-17/h2-6,8-11,13-14,16,19H,7,12,15H2,1H3.
What are the key properties of [2-(2-methoxyphenyl)pyrrolidin-1-yl]-(1-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)methanone?
[2-(2-methoxyphenyl)pyrrolidin-1-yl]-(1-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)methanone has a molecular weight of 430.53 g/mol, XLogP of 4.98, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxyphenyl)pyrrolidin-1-yl]-(1-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)methanone is sourced from PubChem (CID 166188039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).