N-[(2-acetamido-4-methyl-1,3-thiazol-5-yl)sulfonyl]-5-[2-(3,5-dimethoxyanilino)-4-[3-methyl-5-(trifluoromethyl)-1,5-dihydropyrazol-2-yl]pyrimidin-5-yl]-2-methoxypyridine-3-carboxamide

C30H30F3N9O7S2 — CID 89082056

IUPACN-[(2-acetamido-4-methyl-1,3-thiazol-5-yl)sulfonyl]-5-[2-(3,5-dimethoxyanilino)-4-[3-methyl-5-(trifluoromethyl)-1,5-dihydropyrazol-2-yl]pyrimidin-5-yl]-2-methoxypyridine-3-carboxamide
SMILESCOc1cc(Nc2ncc(-c3cnc(OC)c(C(=O)NS(=O)(=O)c4sc(NC(C)=O)nc4C)c3)c(N3NC(C(F)(F)F)C=C3C)n2)cc(OC)c1
InChIInChI=1S/C30H30F3N9O7S2/c1-14-7-23(30(31,32)33)40-42(14)24-22(13-35-28(39-24)38-18-9-19(47-4)11-20(10-18)48-5)17-8-21(26(49-6)34-12-17)25(44)41-51(45,46)27-15(2)36-29(50-27)37-16(3)43/h7-13,23,40H,1-6H3,(H,41,44)(H,35,38,39)(H,36,37,43)
InChIKeyOPUKVZXMSBTKSB-UHFFFAOYSA-N
MW749.75 g/mol
LogP4.31
Rot. Bonds11

About N-[(2-acetamido-4-methyl-1,3-thiazol-5-yl)sulfonyl]-5-[2-(3,5-dimethoxyanilino)-4-[3-methyl-5-(trifluoromethyl)-1,5-dihydropyrazol-2-yl]pyrimidin-5-yl]-2-methoxypyridine-3-carboxamide

N-[(2-acetamido-4-methyl-1,3-thiazol-5-yl)sulfonyl]-5-[2-(3,5-dimethoxyanilino)-4-[3-methyl-5-(trifluoromethyl)-1,5-dihydropyrazol-2-yl]pyrimidin-5-yl]-2-methoxypyridine-3-carboxamide (PubChem CID 89082056) has the molecular formula C30H30F3N9O7S2 and a molecular weight of 749.75 g/mol. Its IUPAC name is N-[(2-acetamido-4-methyl-1,3-thiazol-5-yl)sulfonyl]-5-[2-(3,5-dimethoxyanilino)-4-[3-methyl-5-(trifluoromethyl)-1,5-dihydropyrazol-2-yl]pyrimidin-5-yl]-2-methoxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-acetamido-4-methyl-1,3-thiazol-5-yl)sulfonyl]-5-[2-(3,5-dimethoxyanilino)-4-[3-methyl-5-(trifluoromethyl)-1,5-dihydropyrazol-2-yl]pyrimidin-5-yl]-2-methoxypyridine-3-carboxamide
PubChem CID89082056
Molecular FormulaC30H30F3N9O7S2
Molecular Weight749.75 g/mol
Exact Mass749.17
IUPAC NameN-[(2-acetamido-4-methyl-1,3-thiazol-5-yl)sulfonyl]-5-[2-(3,5-dimethoxyanilino)-4-[3-methyl-5-(trifluoromethyl)-1,5-dihydropyrazol-2-yl]pyrimidin-5-yl]-2-methoxypyridine-3-carboxamide
SMILESCOc1cc(Nc2ncc(-c3cnc(OC)c(C(=O)NS(=O)(=O)c4sc(NC(C)=O)nc4C)c3)c(N3NC(C(F)(F)F)C=C3C)n2)cc(OC)c1
InChIInChI=1S/C30H30F3N9O7S2/c1-14-7-23(30(31,32)33)40-42(14)24-22(13-35-28(39-24)38-18-9-19(47-4)11-20(10-18)48-5)17-8-21(26(49-6)34-12-17)25(44)41-51(45,46)27-15(2)36-29(50-27)37-16(3)43/h7-13,23,40H,1-6H3,(H,41,44)(H,35,38,39)(H,36,37,43)
InChIKeyOPUKVZXMSBTKSB-UHFFFAOYSA-N
XLogP4.31
TPSA198.89 Ų
H-Bond Donors4
H-Bond Acceptors15
Rotatable Bonds11
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500749.75
LogP ≤ 54.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1015

Analyze N-[(2-acetamido-4-methyl-1,3-thiazol-5-yl)sulfonyl]-5-[2-(3,5-dimethoxyanilino)-4-[3-methyl-5-(trifluoromethyl)-1,5-dihydropyrazol-2-yl]pyrimidin-5-yl]-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 N-[(2-acetamido-4-methyl-1,3-thiazol-5-yl)sulfonyl]-5-[2-(3,5-dimethoxyanilino)-4-[3-methyl-5-(trifluoromethyl)-1,5-dihydropyrazol-2-yl]pyrimidin-5-yl]-2-methoxypyridine-3-carboxamide?
The IUPAC name of N-[(2-acetamido-4-methyl-1,3-thiazol-5-yl)sulfonyl]-5-[2-(3,5-dimethoxyanilino)-4-[3-methyl-5-(trifluoromethyl)-1,5-dihydropyrazol-2-yl]pyrimidin-5-yl]-2-methoxypyridine-3-carboxamide (CID 89082056) is N-[(2-acetamido-4-methyl-1,3-thiazol-5-yl)sulfonyl]-5-[2-(3,5-dimethoxyanilino)-4-[3-methyl-5-(trifluoromethyl)-1,5-dihydropyrazol-2-yl]pyrimidin-5-yl]-2-methoxypyridine-3-carboxamide.
What is the SMILES notation for N-[(2-acetamido-4-methyl-1,3-thiazol-5-yl)sulfonyl]-5-[2-(3,5-dimethoxyanilino)-4-[3-methyl-5-(trifluoromethyl)-1,5-dihydropyrazol-2-yl]pyrimidin-5-yl]-2-methoxypyridine-3-carboxamide?
The canonical SMILES for N-[(2-acetamido-4-methyl-1,3-thiazol-5-yl)sulfonyl]-5-[2-(3,5-dimethoxyanilino)-4-[3-methyl-5-(trifluoromethyl)-1,5-dihydropyrazol-2-yl]pyrimidin-5-yl]-2-methoxypyridine-3-carboxamide is COc1cc(Nc2ncc(-c3cnc(OC)c(C(=O)NS(=O)(=O)c4sc(NC(C)=O)nc4C)c3)c(N3NC(C(F)(F)F)C=C3C)n2)cc(OC)c1.
What is the InChIKey of N-[(2-acetamido-4-methyl-1,3-thiazol-5-yl)sulfonyl]-5-[2-(3,5-dimethoxyanilino)-4-[3-methyl-5-(trifluoromethyl)-1,5-dihydropyrazol-2-yl]pyrimidin-5-yl]-2-methoxypyridine-3-carboxamide?
The InChIKey is OPUKVZXMSBTKSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30F3N9O7S2/c1-14-7-23(30(31,32)33)40-42(14)24-22(13-35-28(39-24)38-18-9-19(47-4)11-20(10-18)48-5)17-8-21(26(49-6)34-12-17)25(44)41-51(45,46)27-15(2)36-29(50-27)37-16(3)43/h7-13,23,40H,1-6H3,(H,41,44)(H,35,38,39)(H,36,37,43).
What are the key properties of N-[(2-acetamido-4-methyl-1,3-thiazol-5-yl)sulfonyl]-5-[2-(3,5-dimethoxyanilino)-4-[3-methyl-5-(trifluoromethyl)-1,5-dihydropyrazol-2-yl]pyrimidin-5-yl]-2-methoxypyridine-3-carboxamide?
N-[(2-acetamido-4-methyl-1,3-thiazol-5-yl)sulfonyl]-5-[2-(3,5-dimethoxyanilino)-4-[3-methyl-5-(trifluoromethyl)-1,5-dihydropyrazol-2-yl]pyrimidin-5-yl]-2-methoxypyridine-3-carboxamide has a molecular weight of 749.75 g/mol, XLogP of 4.31, 11 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-acetamido-4-methyl-1,3-thiazol-5-yl)sulfonyl]-5-[2-(3,5-dimethoxyanilino)-4-[3-methyl-5-(trifluoromethyl)-1,5-dihydropyrazol-2-yl]pyrimidin-5-yl]-2-methoxypyridine-3-carboxamide is sourced from PubChem (CID 89082056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).