5-[3-[(2-chlorothiophene-3-carbonyl)amino]-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-5-yl]-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2-thiazole-3-carboxamide

C39H24ClF6N7O2S2 — CID 146330166

IUPAC5-[3-[(2-chlorothiophene-3-carbonyl)amino]-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-5-yl]-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2-thiazole-3-carboxamide
SMILESO=C(Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12)c1cc(-c2ccc3c(c2)c(NC(=O)c2ccsc2Cl)nn3Cc2ccc(C(F)(F)F)cc2)sn1
InChIInChI=1S/C39H24ClF6N7O2S2/c40-33-27(15-16-56-33)36(54)47-35-28-17-23(9-14-31(28)53(50-35)20-22-7-12-25(13-8-22)39(44,45)46)32-18-29(51-57-32)37(55)48-34-26-3-1-2-4-30(26)52(49-34)19-21-5-10-24(11-6-21)38(41,42)43/h1-18H,19-20H2,(H,47,50,54)(H,48,49,55)
InChIKeyJBRVTEKMPAMGSJ-UHFFFAOYSA-N
MW836.24 g/mol
LogP10.86
Rot. Bonds9

About 5-[3-[(2-chlorothiophene-3-carbonyl)amino]-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-5-yl]-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2-thiazole-3-carboxamide

5-[3-[(2-chlorothiophene-3-carbonyl)amino]-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-5-yl]-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2-thiazole-3-carboxamide (PubChem CID 146330166) has the molecular formula C39H24ClF6N7O2S2 and a molecular weight of 836.24 g/mol. Its IUPAC name is 5-[3-[(2-chlorothiophene-3-carbonyl)amino]-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-5-yl]-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2-thiazole-3-carboxamide.

Molecular Properties

Compound Name5-[3-[(2-chlorothiophene-3-carbonyl)amino]-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-5-yl]-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2-thiazole-3-carboxamide
PubChem CID146330166
Molecular FormulaC39H24ClF6N7O2S2
Molecular Weight836.24 g/mol
Exact Mass835.10
IUPAC Name5-[3-[(2-chlorothiophene-3-carbonyl)amino]-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-5-yl]-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2-thiazole-3-carboxamide
SMILESO=C(Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12)c1cc(-c2ccc3c(c2)c(NC(=O)c2ccsc2Cl)nn3Cc2ccc(C(F)(F)F)cc2)sn1
InChIInChI=1S/C39H24ClF6N7O2S2/c40-33-27(15-16-56-33)36(54)47-35-28-17-23(9-14-31(28)53(50-35)20-22-7-12-25(13-8-22)39(44,45)46)32-18-29(51-57-32)37(55)48-34-26-3-1-2-4-30(26)52(49-34)19-21-5-10-24(11-6-21)38(41,42)43/h1-18H,19-20H2,(H,47,50,54)(H,48,49,55)
InChIKeyJBRVTEKMPAMGSJ-UHFFFAOYSA-N
XLogP10.86
TPSA106.73 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500836.24
LogP ≤ 510.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 5-[3-[(2-chlorothiophene-3-carbonyl)amino]-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-5-yl]-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2-thiazole-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-[3-[(2-chlorothiophene-3-carbonyl)amino]-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-5-yl]-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2-thiazole-3-carboxamide?
The IUPAC name of 5-[3-[(2-chlorothiophene-3-carbonyl)amino]-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-5-yl]-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2-thiazole-3-carboxamide (CID 146330166) is 5-[3-[(2-chlorothiophene-3-carbonyl)amino]-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-5-yl]-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2-thiazole-3-carboxamide.
What is the SMILES notation for 5-[3-[(2-chlorothiophene-3-carbonyl)amino]-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-5-yl]-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2-thiazole-3-carboxamide?
The canonical SMILES for 5-[3-[(2-chlorothiophene-3-carbonyl)amino]-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-5-yl]-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2-thiazole-3-carboxamide is O=C(Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12)c1cc(-c2ccc3c(c2)c(NC(=O)c2ccsc2Cl)nn3Cc2ccc(C(F)(F)F)cc2)sn1.
What is the InChIKey of 5-[3-[(2-chlorothiophene-3-carbonyl)amino]-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-5-yl]-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2-thiazole-3-carboxamide?
The InChIKey is JBRVTEKMPAMGSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H24ClF6N7O2S2/c40-33-27(15-16-56-33)36(54)47-35-28-17-23(9-14-31(28)53(50-35)20-22-7-12-25(13-8-22)39(44,45)46)32-18-29(51-57-32)37(55)48-34-26-3-1-2-4-30(26)52(49-34)19-21-5-10-24(11-6-21)38(41,42)43/h1-18H,19-20H2,(H,47,50,54)(H,48,49,55).
What are the key properties of 5-[3-[(2-chlorothiophene-3-carbonyl)amino]-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-5-yl]-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2-thiazole-3-carboxamide?
5-[3-[(2-chlorothiophene-3-carbonyl)amino]-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-5-yl]-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2-thiazole-3-carboxamide has a molecular weight of 836.24 g/mol, XLogP of 10.86, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[(2-chlorothiophene-3-carbonyl)amino]-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-5-yl]-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2-thiazole-3-carboxamide is sourced from PubChem (CID 146330166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).