4-methyl-N-[5-[4-methyl-5-[[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]carbamoyl]furan-3-yl]-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2-oxazole-5-carboxamide

C41H29F6N7O4 — CID 166823232

IUPAC4-methyl-N-[5-[4-methyl-5-[[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]carbamoyl]furan-3-yl]-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2-oxazole-5-carboxamide
SMILESCc1cnoc1C(=O)Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccc(-c3coc(C(=O)Nc4nn(Cc5ccc(C(F)(F)F)cc5)c5ccccc45)c3C)cc12
InChIInChI=1S/C41H29F6N7O4/c1-22-18-48-58-34(22)38(55)50-37-30-17-26(11-16-33(30)54(52-37)20-25-9-14-28(15-10-25)41(45,46)47)31-21-57-35(23(31)2)39(56)49-36-29-5-3-4-6-32(29)53(51-36)19-24-7-12-27(13-8-24)40(42,43)44/h3-18,21H,19-20H2,1-2H3,(H,49,51,56)(H,50,52,55)
InChIKeySQYCPYYDCLBNKE-UHFFFAOYSA-N
MW797.72 g/mol
LogP9.89
Rot. Bonds9

About 4-methyl-N-[5-[4-methyl-5-[[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]carbamoyl]furan-3-yl]-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2-oxazole-5-carboxamide

4-methyl-N-[5-[4-methyl-5-[[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]carbamoyl]furan-3-yl]-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2-oxazole-5-carboxamide (PubChem CID 166823232) has the molecular formula C41H29F6N7O4 and a molecular weight of 797.72 g/mol. Its IUPAC name is 4-methyl-N-[5-[4-methyl-5-[[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]carbamoyl]furan-3-yl]-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[5-[4-methyl-5-[[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]carbamoyl]furan-3-yl]-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2-oxazole-5-carboxamide
PubChem CID166823232
Molecular FormulaC41H29F6N7O4
Molecular Weight797.72 g/mol
Exact Mass797.22
IUPAC Name4-methyl-N-[5-[4-methyl-5-[[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]carbamoyl]furan-3-yl]-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2-oxazole-5-carboxamide
SMILESCc1cnoc1C(=O)Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccc(-c3coc(C(=O)Nc4nn(Cc5ccc(C(F)(F)F)cc5)c5ccccc45)c3C)cc12
InChIInChI=1S/C41H29F6N7O4/c1-22-18-48-58-34(22)38(55)50-37-30-17-26(11-16-33(30)54(52-37)20-25-9-14-28(15-10-25)41(45,46)47)31-21-57-35(23(31)2)39(56)49-36-29-5-3-4-6-32(29)53(51-36)19-24-7-12-27(13-8-24)40(42,43)44/h3-18,21H,19-20H2,1-2H3,(H,49,51,56)(H,50,52,55)
InChIKeySQYCPYYDCLBNKE-UHFFFAOYSA-N
XLogP9.89
TPSA133.01 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500797.72
LogP ≤ 59.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 4-methyl-N-[5-[4-methyl-5-[[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]carbamoyl]furan-3-yl]-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2-oxazole-5-carboxamide with MolForge

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Related Compounds

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CID 155279255
CID 157760946
CID 157760946
CID 161756306
CID 161756306
CID 146329886
CID 146329886
CID 146330030
CID 146330030

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[5-[4-methyl-5-[[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]carbamoyl]furan-3-yl]-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2-oxazole-5-carboxamide?
The IUPAC name of 4-methyl-N-[5-[4-methyl-5-[[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]carbamoyl]furan-3-yl]-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2-oxazole-5-carboxamide (CID 166823232) is 4-methyl-N-[5-[4-methyl-5-[[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]carbamoyl]furan-3-yl]-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-[5-[4-methyl-5-[[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]carbamoyl]furan-3-yl]-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-[5-[4-methyl-5-[[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]carbamoyl]furan-3-yl]-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2-oxazole-5-carboxamide is Cc1cnoc1C(=O)Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccc(-c3coc(C(=O)Nc4nn(Cc5ccc(C(F)(F)F)cc5)c5ccccc45)c3C)cc12.
What is the InChIKey of 4-methyl-N-[5-[4-methyl-5-[[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]carbamoyl]furan-3-yl]-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2-oxazole-5-carboxamide?
The InChIKey is SQYCPYYDCLBNKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H29F6N7O4/c1-22-18-48-58-34(22)38(55)50-37-30-17-26(11-16-33(30)54(52-37)20-25-9-14-28(15-10-25)41(45,46)47)31-21-57-35(23(31)2)39(56)49-36-29-5-3-4-6-32(29)53(51-36)19-24-7-12-27(13-8-24)40(42,43)44/h3-18,21H,19-20H2,1-2H3,(H,49,51,56)(H,50,52,55).
What are the key properties of 4-methyl-N-[5-[4-methyl-5-[[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]carbamoyl]furan-3-yl]-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2-oxazole-5-carboxamide?
4-methyl-N-[5-[4-methyl-5-[[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]carbamoyl]furan-3-yl]-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2-oxazole-5-carboxamide has a molecular weight of 797.72 g/mol, XLogP of 9.89, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[5-[4-methyl-5-[[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]carbamoyl]furan-3-yl]-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 166823232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).