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

C20H15F2N3OS — CID 129202874

IUPAC3-fluoro-N-[1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]thiophene-2-carboxamide
SMILESO=C(Nc1nn(Cc2ccc(CF)cc2)c2ccccc12)c1sccc1F
InChIInChI=1S/C20H15F2N3OS/c21-11-13-5-7-14(8-6-13)12-25-17-4-2-1-3-15(17)19(24-25)23-20(26)18-16(22)9-10-27-18/h1-10H,11-12H2,(H,23,24,26)
InChIKeyRGJVLPJDRRRAIN-UHFFFAOYSA-N
MW383.42 g/mol
LogP5.01
Rot. Bonds5

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

3-fluoro-N-[1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]thiophene-2-carboxamide (PubChem CID 129202874) has the molecular formula C20H15F2N3OS and a molecular weight of 383.42 g/mol. Its IUPAC name is 3-fluoro-N-[1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-fluoro-N-[1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]thiophene-2-carboxamide
PubChem CID129202874
Molecular FormulaC20H15F2N3OS
Molecular Weight383.42 g/mol
Exact Mass383.09
IUPAC Name3-fluoro-N-[1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]thiophene-2-carboxamide
SMILESO=C(Nc1nn(Cc2ccc(CF)cc2)c2ccccc12)c1sccc1F
InChIInChI=1S/C20H15F2N3OS/c21-11-13-5-7-14(8-6-13)12-25-17-4-2-1-3-15(17)19(24-25)23-20(26)18-16(22)9-10-27-18/h1-10H,11-12H2,(H,23,24,26)
InChIKeyRGJVLPJDRRRAIN-UHFFFAOYSA-N
XLogP5.01
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.42
LogP ≤ 55.01
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-(fluoromethyl)phenyl]methyl]indazol-3-yl]thiophene-2-carboxamide?
The IUPAC name of 3-fluoro-N-[1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]thiophene-2-carboxamide (CID 129202874) is 3-fluoro-N-[1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]thiophene-2-carboxamide.
What is the SMILES notation for 3-fluoro-N-[1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]thiophene-2-carboxamide?
The canonical SMILES for 3-fluoro-N-[1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]thiophene-2-carboxamide is O=C(Nc1nn(Cc2ccc(CF)cc2)c2ccccc12)c1sccc1F.
What is the InChIKey of 3-fluoro-N-[1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]thiophene-2-carboxamide?
The InChIKey is RGJVLPJDRRRAIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F2N3OS/c21-11-13-5-7-14(8-6-13)12-25-17-4-2-1-3-15(17)19(24-25)23-20(26)18-16(22)9-10-27-18/h1-10H,11-12H2,(H,23,24,26).
What are the key properties of 3-fluoro-N-[1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]thiophene-2-carboxamide?
3-fluoro-N-[1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]thiophene-2-carboxamide has a molecular weight of 383.42 g/mol, XLogP of 5.01, 5 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-(fluoromethyl)phenyl]methyl]indazol-3-yl]thiophene-2-carboxamide is sourced from PubChem (CID 129202874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).