5-[2-(3,5-dimethoxyanilino)-4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-5-yl]-N-[2-(2,5-dioxopyrrolidin-1-yl)ethylsulfonyl]-2-methoxypyridine-3-carboxamide

C30H29F3N8O8S — CID 59353479

IUPAC5-[2-(3,5-dimethoxyanilino)-4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-5-yl]-N-[2-(2,5-dioxopyrrolidin-1-yl)ethylsulfonyl]-2-methoxypyridine-3-carboxamide
SMILESCOc1cc(Nc2ncc(-c3cnc(OC)c(C(=O)NS(=O)(=O)CCN4C(=O)CCC4=O)c3)c(-n3nc(C(F)(F)F)cc3C)n2)cc(OC)c1
InChIInChI=1S/C30H29F3N8O8S/c1-16-9-23(30(31,32)33)38-41(16)26-22(15-35-29(37-26)36-18-11-19(47-2)13-20(12-18)48-3)17-10-21(28(49-4)34-14-17)27(44)39-50(45,46)8-7-40-24(42)5-6-25(40)43/h9-15H,5-8H2,1-4H3,(H,39,44)(H,35,36,37)
InChIKeyFRGOEFJSKDGTOI-UHFFFAOYSA-N
MW718.67 g/mol
LogP3.03
Rot. Bonds12

About 5-[2-(3,5-dimethoxyanilino)-4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-5-yl]-N-[2-(2,5-dioxopyrrolidin-1-yl)ethylsulfonyl]-2-methoxypyridine-3-carboxamide

5-[2-(3,5-dimethoxyanilino)-4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-5-yl]-N-[2-(2,5-dioxopyrrolidin-1-yl)ethylsulfonyl]-2-methoxypyridine-3-carboxamide (PubChem CID 59353479) has the molecular formula C30H29F3N8O8S and a molecular weight of 718.67 g/mol. Its IUPAC name is 5-[2-(3,5-dimethoxyanilino)-4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-5-yl]-N-[2-(2,5-dioxopyrrolidin-1-yl)ethylsulfonyl]-2-methoxypyridine-3-carboxamide.

Molecular Properties

Compound Name5-[2-(3,5-dimethoxyanilino)-4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-5-yl]-N-[2-(2,5-dioxopyrrolidin-1-yl)ethylsulfonyl]-2-methoxypyridine-3-carboxamide
PubChem CID59353479
Molecular FormulaC30H29F3N8O8S
Molecular Weight718.67 g/mol
Exact Mass718.18
IUPAC Name5-[2-(3,5-dimethoxyanilino)-4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-5-yl]-N-[2-(2,5-dioxopyrrolidin-1-yl)ethylsulfonyl]-2-methoxypyridine-3-carboxamide
SMILESCOc1cc(Nc2ncc(-c3cnc(OC)c(C(=O)NS(=O)(=O)CCN4C(=O)CCC4=O)c3)c(-n3nc(C(F)(F)F)cc3C)n2)cc(OC)c1
InChIInChI=1S/C30H29F3N8O8S/c1-16-9-23(30(31,32)33)38-41(16)26-22(15-35-29(37-26)36-18-11-19(47-2)13-20(12-18)48-3)17-10-21(28(49-4)34-14-17)27(44)39-50(45,46)8-7-40-24(42)5-6-25(40)43/h9-15H,5-8H2,1-4H3,(H,39,44)(H,35,36,37)
InChIKeyFRGOEFJSKDGTOI-UHFFFAOYSA-N
XLogP3.03
TPSA196.83 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds12
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500718.67
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze 5-[2-(3,5-dimethoxyanilino)-4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-5-yl]-N-[2-(2,5-dioxopyrrolidin-1-yl)ethylsulfonyl]-2-methoxypyridine-3-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[2-(3,5-dimethoxyanilino)-4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-5-yl]-N-[2-(2,5-dioxopyrrolidin-1-yl)ethylsulfonyl]-2-methoxypyridine-3-carboxamide?
The IUPAC name of 5-[2-(3,5-dimethoxyanilino)-4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-5-yl]-N-[2-(2,5-dioxopyrrolidin-1-yl)ethylsulfonyl]-2-methoxypyridine-3-carboxamide (CID 59353479) is 5-[2-(3,5-dimethoxyanilino)-4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-5-yl]-N-[2-(2,5-dioxopyrrolidin-1-yl)ethylsulfonyl]-2-methoxypyridine-3-carboxamide.
What is the SMILES notation for 5-[2-(3,5-dimethoxyanilino)-4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-5-yl]-N-[2-(2,5-dioxopyrrolidin-1-yl)ethylsulfonyl]-2-methoxypyridine-3-carboxamide?
The canonical SMILES for 5-[2-(3,5-dimethoxyanilino)-4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-5-yl]-N-[2-(2,5-dioxopyrrolidin-1-yl)ethylsulfonyl]-2-methoxypyridine-3-carboxamide is COc1cc(Nc2ncc(-c3cnc(OC)c(C(=O)NS(=O)(=O)CCN4C(=O)CCC4=O)c3)c(-n3nc(C(F)(F)F)cc3C)n2)cc(OC)c1.
What is the InChIKey of 5-[2-(3,5-dimethoxyanilino)-4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-5-yl]-N-[2-(2,5-dioxopyrrolidin-1-yl)ethylsulfonyl]-2-methoxypyridine-3-carboxamide?
The InChIKey is FRGOEFJSKDGTOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29F3N8O8S/c1-16-9-23(30(31,32)33)38-41(16)26-22(15-35-29(37-26)36-18-11-19(47-2)13-20(12-18)48-3)17-10-21(28(49-4)34-14-17)27(44)39-50(45,46)8-7-40-24(42)5-6-25(40)43/h9-15H,5-8H2,1-4H3,(H,39,44)(H,35,36,37).
What are the key properties of 5-[2-(3,5-dimethoxyanilino)-4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-5-yl]-N-[2-(2,5-dioxopyrrolidin-1-yl)ethylsulfonyl]-2-methoxypyridine-3-carboxamide?
5-[2-(3,5-dimethoxyanilino)-4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-5-yl]-N-[2-(2,5-dioxopyrrolidin-1-yl)ethylsulfonyl]-2-methoxypyridine-3-carboxamide has a molecular weight of 718.67 g/mol, XLogP of 3.03, 12 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3,5-dimethoxyanilino)-4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-5-yl]-N-[2-(2,5-dioxopyrrolidin-1-yl)ethylsulfonyl]-2-methoxypyridine-3-carboxamide is sourced from PubChem (CID 59353479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).