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

C21H13F6N3O2 — CID 118453548

IUPACN-[7-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide
SMILESO=C(Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2c(C(F)(F)F)cccc12)c1ccoc1
InChIInChI=1S/C21H13F6N3O2/c22-20(23,24)14-6-4-12(5-7-14)10-30-17-15(2-1-3-16(17)21(25,26)27)18(29-30)28-19(31)13-8-9-32-11-13/h1-9,11H,10H2,(H,28,29,31)
InChIKeyTYGHAHNEZUPNKG-UHFFFAOYSA-N
MW453.34 g/mol
LogP5.97
Rot. Bonds4

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

N-[7-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide (PubChem CID 118453548) has the molecular formula C21H13F6N3O2 and a molecular weight of 453.34 g/mol. Its IUPAC name is N-[7-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[7-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide
PubChem CID118453548
Molecular FormulaC21H13F6N3O2
Molecular Weight453.34 g/mol
Exact Mass453.09
IUPAC NameN-[7-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide
SMILESO=C(Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2c(C(F)(F)F)cccc12)c1ccoc1
InChIInChI=1S/C21H13F6N3O2/c22-20(23,24)14-6-4-12(5-7-14)10-30-17-15(2-1-3-16(17)21(25,26)27)18(29-30)28-19(31)13-8-9-32-11-13/h1-9,11H,10H2,(H,28,29,31)
InChIKeyTYGHAHNEZUPNKG-UHFFFAOYSA-N
XLogP5.97
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.34
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]furan-3-carboxamide
CID 118335335
N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-oxazole-5-carboxamide
CID 118335401
4,5-dimethyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-2-carboxamide
CID 118326010
[4-[(3-aminoindazol-1-yl)methyl]phenyl]methanol;4,5-dimethyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-2-carboxamide;N-[1-[[4-(hydroxymethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide;2-methoxy-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide
CID 161463570
N-[[3-(trifluoromethyl)phenyl]methyl]furan-3-carboxamide
CID 27515082
N-[2-oxo-2-[2-[4-(trifluoromethyl)phenyl]ethylamino]ethyl]furan-3-carboxamide
CID 46450491
N-[6-[2-(trifluoromethyl)phenyl]pyridazin-3-yl]furan-3-carboxamide
CID 178030091
N-[1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]-3-methylfuran-2-carboxamide
CID 118466751
N-[amino-[2-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]methylidene]pyridine-2-carboxamide;N-[amino-[2-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]methylidene]-2-(trifluoromethoxy)benzamide;N-(1-benzylindazol-3-yl)furan-3-carboxamide;1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-amine;N-[1-[[2-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]pyrazine-2-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]pyridine-3-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]pyrimidine-5-carboxamide
CID 163817647
methane;N-[(4-methylphenyl)methyl]-N-[1-[(4-methylphenyl)methyl]-7-(trifluoromethyl)indazol-3-yl]benzamide
CID 167683587
N-[1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]-2-(trifluoromethoxy)benzamide
CID 126603628
N-[1-[[4-(morpholine-4-carbonyl)phenyl]methyl]indazol-3-yl]benzamide
CID 126472377

Frequently Asked Questions

What is the IUPAC name of N-[7-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide?
The IUPAC name of N-[7-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide (CID 118453548) is N-[7-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide.
What is the SMILES notation for N-[7-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide?
The canonical SMILES for N-[7-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide is O=C(Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2c(C(F)(F)F)cccc12)c1ccoc1.
What is the InChIKey of N-[7-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide?
The InChIKey is TYGHAHNEZUPNKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13F6N3O2/c22-20(23,24)14-6-4-12(5-7-14)10-30-17-15(2-1-3-16(17)21(25,26)27)18(29-30)28-19(31)13-8-9-32-11-13/h1-9,11H,10H2,(H,28,29,31).
What are the key properties of N-[7-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide?
N-[7-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide has a molecular weight of 453.34 g/mol, XLogP of 5.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide is sourced from PubChem (CID 118453548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).