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

C40H27F6N7O3S — CID 135277927

IUPAC2-[3-[(3-methylfuran-2-carbonyl)amino]-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-5-yl]-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-thiazole-4-carboxamide
SMILESCc1ccoc1C(=O)Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccc(-c3nc(C(=O)Nc4nn(Cc5ccc(C(F)(F)F)cc5)c5ccccc45)cs3)cc12
InChIInChI=1S/C40H27F6N7O3S/c1-22-16-17-56-33(22)37(55)49-35-29-18-25(10-15-32(29)53(51-35)20-24-8-13-27(14-9-24)40(44,45)46)38-47-30(21-57-38)36(54)48-34-28-4-2-3-5-31(28)52(50-34)19-23-6-11-26(12-7-23)39(41,42)43/h2-18,21H,19-20H2,1H3,(H,48,50,54)(H,49,51,55)
InChIKeyLDEIPMPUGZRLLH-UHFFFAOYSA-N
MW799.76 g/mol
LogP10.05
Rot. Bonds9

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

2-[3-[(3-methylfuran-2-carbonyl)amino]-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-5-yl]-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-thiazole-4-carboxamide (PubChem CID 135277927) has the molecular formula C40H27F6N7O3S and a molecular weight of 799.76 g/mol. Its IUPAC name is 2-[3-[(3-methylfuran-2-carbonyl)amino]-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-5-yl]-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[3-[(3-methylfuran-2-carbonyl)amino]-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-5-yl]-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-thiazole-4-carboxamide
PubChem CID135277927
Molecular FormulaC40H27F6N7O3S
Molecular Weight799.76 g/mol
Exact Mass799.18
IUPAC Name2-[3-[(3-methylfuran-2-carbonyl)amino]-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-5-yl]-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-thiazole-4-carboxamide
SMILESCc1ccoc1C(=O)Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccc(-c3nc(C(=O)Nc4nn(Cc5ccc(C(F)(F)F)cc5)c5ccccc45)cs3)cc12
InChIInChI=1S/C40H27F6N7O3S/c1-22-16-17-56-33(22)37(55)49-35-29-18-25(10-15-32(29)53(51-35)20-24-8-13-27(14-9-24)40(44,45)46)38-47-30(21-57-38)36(54)48-34-28-4-2-3-5-31(28)52(50-34)19-23-6-11-26(12-7-23)39(41,42)43/h2-18,21H,19-20H2,1H3,(H,48,50,54)(H,49,51,55)
InChIKeyLDEIPMPUGZRLLH-UHFFFAOYSA-N
XLogP10.05
TPSA119.87 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500799.76
LogP ≤ 510.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[(3-methylfuran-2-carbonyl)amino]-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-5-yl]-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[3-[(3-methylfuran-2-carbonyl)amino]-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-5-yl]-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-thiazole-4-carboxamide (CID 135277927) is 2-[3-[(3-methylfuran-2-carbonyl)amino]-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-5-yl]-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[3-[(3-methylfuran-2-carbonyl)amino]-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-5-yl]-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[3-[(3-methylfuran-2-carbonyl)amino]-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-5-yl]-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-thiazole-4-carboxamide is Cc1ccoc1C(=O)Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccc(-c3nc(C(=O)Nc4nn(Cc5ccc(C(F)(F)F)cc5)c5ccccc45)cs3)cc12.
What is the InChIKey of 2-[3-[(3-methylfuran-2-carbonyl)amino]-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-5-yl]-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is LDEIPMPUGZRLLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H27F6N7O3S/c1-22-16-17-56-33(22)37(55)49-35-29-18-25(10-15-32(29)53(51-35)20-24-8-13-27(14-9-24)40(44,45)46)38-47-30(21-57-38)36(54)48-34-28-4-2-3-5-31(28)52(50-34)19-23-6-11-26(12-7-23)39(41,42)43/h2-18,21H,19-20H2,1H3,(H,48,50,54)(H,49,51,55).
What are the key properties of 2-[3-[(3-methylfuran-2-carbonyl)amino]-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-5-yl]-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-thiazole-4-carboxamide?
2-[3-[(3-methylfuran-2-carbonyl)amino]-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-5-yl]-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 799.76 g/mol, XLogP of 10.05, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(3-methylfuran-2-carbonyl)amino]-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-5-yl]-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 135277927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).