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

C22H18F3N3O2 — CID 118326010

IUPAC4,5-dimethyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-2-carboxamide
SMILESCc1cc(C(=O)Nc2nn(Cc3ccc(C(F)(F)F)cc3)c3ccccc23)oc1C
InChIInChI=1S/C22H18F3N3O2/c1-13-11-19(30-14(13)2)21(29)26-20-17-5-3-4-6-18(17)28(27-20)12-15-7-9-16(10-8-15)22(23,24)25/h3-11H,12H2,1-2H3,(H,26,27,29)
InChIKeyKUSUQJMENWNSFT-UHFFFAOYSA-N
MW413.40 g/mol
LogP5.57
Rot. Bonds4

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

4,5-dimethyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-2-carboxamide (PubChem CID 118326010) has the molecular formula C22H18F3N3O2 and a molecular weight of 413.40 g/mol. Its IUPAC name is 4,5-dimethyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-2-carboxamide.

Molecular Properties

Compound Name4,5-dimethyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-2-carboxamide
PubChem CID118326010
Molecular FormulaC22H18F3N3O2
Molecular Weight413.40 g/mol
Exact Mass413.14
IUPAC Name4,5-dimethyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-2-carboxamide
SMILESCc1cc(C(=O)Nc2nn(Cc3ccc(C(F)(F)F)cc3)c3ccccc23)oc1C
InChIInChI=1S/C22H18F3N3O2/c1-13-11-19(30-14(13)2)21(29)26-20-17-5-3-4-6-18(17)28(27-20)12-15-7-9-16(10-8-15)22(23,24)25/h3-11H,12H2,1-2H3,(H,26,27,29)
InChIKeyKUSUQJMENWNSFT-UHFFFAOYSA-N
XLogP5.57
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.40
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-oxazole-5-carboxamide
CID 118335401
[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-[1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]-3-methylfuran-2-carboxamide
CID 118466751
2-methyl-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]furan-3-carboxamide
CID 118335413
(3-methyl-1,2-oxazol-4-yl)-[[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]amino]methanol
CID 135277935
N-[1-[(4-chlorophenyl)methyl]indazol-3-yl]-3-methyl-1,3-oxazol-3-ium-4-carboxamide
CID 123635821
N-[7-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide
CID 118453548
N-[1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-thiazole-4-carboxamide
CID 118466719
N-[1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]-2-(trifluoromethoxy)benzamide
CID 126603628
N-[1-[[4-(difluoromethoxy)phenyl]methyl]indazol-3-yl]pyridine-4-carboxamide
CID 24954489
N-[1-[[4-(morpholine-4-carbonyl)phenyl]methyl]indazol-3-yl]benzamide
CID 126472377
2-bromo-N-[1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]benzamide
CID 126603643

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-2-carboxamide?
The IUPAC name of 4,5-dimethyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-2-carboxamide (CID 118326010) is 4,5-dimethyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-2-carboxamide.
What is the SMILES notation for 4,5-dimethyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-2-carboxamide?
The canonical SMILES for 4,5-dimethyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-2-carboxamide is Cc1cc(C(=O)Nc2nn(Cc3ccc(C(F)(F)F)cc3)c3ccccc23)oc1C.
What is the InChIKey of 4,5-dimethyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-2-carboxamide?
The InChIKey is KUSUQJMENWNSFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F3N3O2/c1-13-11-19(30-14(13)2)21(29)26-20-17-5-3-4-6-18(17)28(27-20)12-15-7-9-16(10-8-15)22(23,24)25/h3-11H,12H2,1-2H3,(H,26,27,29).
What are the key properties of 4,5-dimethyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-2-carboxamide?
4,5-dimethyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-2-carboxamide has a molecular weight of 413.40 g/mol, XLogP of 5.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-2-carboxamide is sourced from PubChem (CID 118326010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).