2-methyl-N-[7-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide

C22H15F6N3O2 — CID 118453557

IUPAC2-methyl-N-[7-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide
SMILESCc1occc1C(=O)Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2c(C(F)(F)F)cccc12
InChIInChI=1S/C22H15F6N3O2/c1-12-15(9-10-33-12)20(32)29-19-16-3-2-4-17(22(26,27)28)18(16)31(30-19)11-13-5-7-14(8-6-13)21(23,24)25/h2-10H,11H2,1H3,(H,29,30,32)
InChIKeyUASDMVSRVWJBOI-UHFFFAOYSA-N
MW467.37 g/mol
LogP6.28
Rot. Bonds4

About 2-methyl-N-[7-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide

2-methyl-N-[7-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide (PubChem CID 118453557) has the molecular formula C22H15F6N3O2 and a molecular weight of 467.37 g/mol. Its IUPAC name is 2-methyl-N-[7-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[7-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide
PubChem CID118453557
Molecular FormulaC22H15F6N3O2
Molecular Weight467.37 g/mol
Exact Mass467.11
IUPAC Name2-methyl-N-[7-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide
SMILESCc1occc1C(=O)Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2c(C(F)(F)F)cccc12
InChIInChI=1S/C22H15F6N3O2/c1-12-15(9-10-33-12)20(32)29-19-16-3-2-4-17(22(26,27)28)18(16)31(30-19)11-13-5-7-14(8-6-13)21(23,24)25/h2-10H,11H2,1H3,(H,29,30,32)
InChIKeyUASDMVSRVWJBOI-UHFFFAOYSA-N
XLogP6.28
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.37
LogP ≤ 56.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[7-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide?
The IUPAC name of 2-methyl-N-[7-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide (CID 118453557) is 2-methyl-N-[7-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[7-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide?
The canonical SMILES for 2-methyl-N-[7-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide is Cc1occc1C(=O)Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2c(C(F)(F)F)cccc12.
What is the InChIKey of 2-methyl-N-[7-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide?
The InChIKey is UASDMVSRVWJBOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F6N3O2/c1-12-15(9-10-33-12)20(32)29-19-16-3-2-4-17(22(26,27)28)18(16)31(30-19)11-13-5-7-14(8-6-13)21(23,24)25/h2-10H,11H2,1H3,(H,29,30,32).
What are the key properties of 2-methyl-N-[7-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide?
2-methyl-N-[7-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide has a molecular weight of 467.37 g/mol, XLogP of 6.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[7-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide is sourced from PubChem (CID 118453557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).