2-methyl-N-[6-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide

C22H15F6N3O2 — CID 118335379

IUPAC2-methyl-N-[6-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide
SMILESCc1occc1C(=O)Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2cc(C(F)(F)F)ccc12
InChIInChI=1S/C22H15F6N3O2/c1-12-16(8-9-33-12)20(32)29-19-17-7-6-15(22(26,27)28)10-18(17)31(30-19)11-13-2-4-14(5-3-13)21(23,24)25/h2-10H,11H2,1H3,(H,29,30,32)
InChIKeyCRHDNVXQBHOMHP-UHFFFAOYSA-N
MW467.37 g/mol
LogP6.28
Rot. Bonds4

About 2-methyl-N-[6-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide

2-methyl-N-[6-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide (PubChem CID 118335379) has the molecular formula C22H15F6N3O2 and a molecular weight of 467.37 g/mol. Its IUPAC name is 2-methyl-N-[6-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[6-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide
PubChem CID118335379
Molecular FormulaC22H15F6N3O2
Molecular Weight467.37 g/mol
Exact Mass467.11
IUPAC Name2-methyl-N-[6-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide
SMILESCc1occc1C(=O)Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2cc(C(F)(F)F)ccc12
InChIInChI=1S/C22H15F6N3O2/c1-12-16(8-9-33-12)20(32)29-19-17-7-6-15(22(26,27)28)10-18(17)31(30-19)11-13-2-4-14(5-3-13)21(23,24)25/h2-10H,11H2,1H3,(H,29,30,32)
InChIKeyCRHDNVXQBHOMHP-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

Analyze 2-methyl-N-[6-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide with MolForge

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Related Compounds

2-Methyl-N-(1-((4-(trifluoromethyl)phenyl)methyl)-1H-indazol-3-yl)-3-furancarboxamide
CID 91844684
N-(1-((4-(trifluoromethyl)phenyl)methyl)-1H-indazol-3-yl)furan-2-carboxamide
CID 73331364
N-(4-methoxy-1-methylindazol-3-yl)-2,5-dimethyluran-3-carboxamide
CID 2811420
3-methoxy-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide
CID 172434181
N-(1H-indazol-3-yl)furan-3-carboxamide
CID 55023356
4,5-dimethyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-2-carboxamide
CID 118326010
N-[1-[[3-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide
CID 118326026
N-[1-[[6-(trifluoromethyl)pyridin-3-yl]methyl]indazol-3-yl]furan-3-carboxamide
CID 118326029
N-[1-[(4-chlorophenyl)methyl]indazol-3-yl]-2-methylfuran-3-carboxamide
CID 118335350
N-[1-[(4-chlorophenyl)methyl]indazol-3-yl]furan-3-carboxamide
CID 118335351
N-[1-[(4-fluorophenyl)methyl]indazol-3-yl]furan-3-carboxamide
CID 118335370
N-[1-[(4-fluorophenyl)methyl]indazol-3-yl]-2-methylfuran-3-carboxamide
CID 118335371

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[6-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide?
The IUPAC name of 2-methyl-N-[6-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide (CID 118335379) is 2-methyl-N-[6-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[6-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide?
The canonical SMILES for 2-methyl-N-[6-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide is Cc1occc1C(=O)Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2cc(C(F)(F)F)ccc12.
What is the InChIKey of 2-methyl-N-[6-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide?
The InChIKey is CRHDNVXQBHOMHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F6N3O2/c1-12-16(8-9-33-12)20(32)29-19-17-7-6-15(22(26,27)28)10-18(17)31(30-19)11-13-2-4-14(5-3-13)21(23,24)25/h2-10H,11H2,1H3,(H,29,30,32).
What are the key properties of 2-methyl-N-[6-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide?
2-methyl-N-[6-(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-[6-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide is sourced from PubChem (CID 118335379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).