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

C20H13F4N3OS — CID 118335398

IUPAC3-fluoro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]thiophene-2-carboxamide
SMILESO=C(Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12)c1sccc1F
InChIInChI=1S/C20H13F4N3OS/c21-15-9-10-29-17(15)19(28)25-18-14-3-1-2-4-16(14)27(26-18)11-12-5-7-13(8-6-12)20(22,23)24/h1-10H,11H2,(H,25,26,28)
InChIKeyNLGFPFWJUBHAFI-UHFFFAOYSA-N
MW419.40 g/mol
LogP5.56
Rot. Bonds4

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

3-fluoro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]thiophene-2-carboxamide (PubChem CID 118335398) has the molecular formula C20H13F4N3OS and a molecular weight of 419.40 g/mol. Its IUPAC name is 3-fluoro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-fluoro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]thiophene-2-carboxamide
PubChem CID118335398
Molecular FormulaC20H13F4N3OS
Molecular Weight419.40 g/mol
Exact Mass419.07
IUPAC Name3-fluoro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]thiophene-2-carboxamide
SMILESO=C(Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12)c1sccc1F
InChIInChI=1S/C20H13F4N3OS/c21-15-9-10-29-17(15)19(28)25-18-14-3-1-2-4-16(14)27(26-18)11-12-5-7-13(8-6-12)20(22,23)24/h1-10H,11H2,(H,25,26,28)
InChIKeyNLGFPFWJUBHAFI-UHFFFAOYSA-N
XLogP5.56
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.40
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]thiophene-2-carboxamide?
The IUPAC name of 3-fluoro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]thiophene-2-carboxamide (CID 118335398) is 3-fluoro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]thiophene-2-carboxamide.
What is the SMILES notation for 3-fluoro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]thiophene-2-carboxamide?
The canonical SMILES for 3-fluoro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]thiophene-2-carboxamide is O=C(Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12)c1sccc1F.
What is the InChIKey of 3-fluoro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]thiophene-2-carboxamide?
The InChIKey is NLGFPFWJUBHAFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F4N3OS/c21-15-9-10-29-17(15)19(28)25-18-14-3-1-2-4-16(14)27(26-18)11-12-5-7-13(8-6-12)20(22,23)24/h1-10H,11H2,(H,25,26,28).
What are the key properties of 3-fluoro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]thiophene-2-carboxamide?
3-fluoro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]thiophene-2-carboxamide has a molecular weight of 419.40 g/mol, XLogP of 5.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]thiophene-2-carboxamide is sourced from PubChem (CID 118335398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).