6-fluoro-3-(3-fluorophenyl)-N-(furan-2-ylmethyl)-1H-indazole-5-carboxamide

C19H13F2N3O2 — CID 23589822

IUPAC6-fluoro-3-(3-fluorophenyl)-N-(furan-2-ylmethyl)-1H-indazole-5-carboxamide
SMILESO=C(NCc1ccco1)c1cc2c(-c3cccc(F)c3)n[nH]c2cc1F
InChIInChI=1S/C19H13F2N3O2/c20-12-4-1-3-11(7-12)18-15-8-14(16(21)9-17(15)23-24-18)19(25)22-10-13-5-2-6-26-13/h1-9H,10H2,(H,22,25)(H,23,24)
InChIKeyNNFMYCQATLXCGT-UHFFFAOYSA-N
MW353.33 g/mol
LogP4.03
Rot. Bonds4

About 6-fluoro-3-(3-fluorophenyl)-N-(furan-2-ylmethyl)-1H-indazole-5-carboxamide

6-fluoro-3-(3-fluorophenyl)-N-(furan-2-ylmethyl)-1H-indazole-5-carboxamide (PubChem CID 23589822) has the molecular formula C19H13F2N3O2 and a molecular weight of 353.33 g/mol. Its IUPAC name is 6-fluoro-3-(3-fluorophenyl)-N-(furan-2-ylmethyl)-1H-indazole-5-carboxamide.

Molecular Properties

Compound Name6-fluoro-3-(3-fluorophenyl)-N-(furan-2-ylmethyl)-1H-indazole-5-carboxamide
PubChem CID23589822
Molecular FormulaC19H13F2N3O2
Molecular Weight353.33 g/mol
Exact Mass353.10
IUPAC Name6-fluoro-3-(3-fluorophenyl)-N-(furan-2-ylmethyl)-1H-indazole-5-carboxamide
SMILESO=C(NCc1ccco1)c1cc2c(-c3cccc(F)c3)n[nH]c2cc1F
InChIInChI=1S/C19H13F2N3O2/c20-12-4-1-3-11(7-12)18-15-8-14(16(21)9-17(15)23-24-18)19(25)22-10-13-5-2-6-26-13/h1-9H,10H2,(H,22,25)(H,23,24)
InChIKeyNNFMYCQATLXCGT-UHFFFAOYSA-N
XLogP4.03
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.33
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-(3-fluorophenyl)-N-(furan-2-ylmethyl)-1H-indazole-5-carboxamide?
The IUPAC name of 6-fluoro-3-(3-fluorophenyl)-N-(furan-2-ylmethyl)-1H-indazole-5-carboxamide (CID 23589822) is 6-fluoro-3-(3-fluorophenyl)-N-(furan-2-ylmethyl)-1H-indazole-5-carboxamide.
What is the SMILES notation for 6-fluoro-3-(3-fluorophenyl)-N-(furan-2-ylmethyl)-1H-indazole-5-carboxamide?
The canonical SMILES for 6-fluoro-3-(3-fluorophenyl)-N-(furan-2-ylmethyl)-1H-indazole-5-carboxamide is O=C(NCc1ccco1)c1cc2c(-c3cccc(F)c3)n[nH]c2cc1F.
What is the InChIKey of 6-fluoro-3-(3-fluorophenyl)-N-(furan-2-ylmethyl)-1H-indazole-5-carboxamide?
The InChIKey is NNFMYCQATLXCGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F2N3O2/c20-12-4-1-3-11(7-12)18-15-8-14(16(21)9-17(15)23-24-18)19(25)22-10-13-5-2-6-26-13/h1-9H,10H2,(H,22,25)(H,23,24).
What are the key properties of 6-fluoro-3-(3-fluorophenyl)-N-(furan-2-ylmethyl)-1H-indazole-5-carboxamide?
6-fluoro-3-(3-fluorophenyl)-N-(furan-2-ylmethyl)-1H-indazole-5-carboxamide has a molecular weight of 353.33 g/mol, XLogP of 4.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-(3-fluorophenyl)-N-(furan-2-ylmethyl)-1H-indazole-5-carboxamide is sourced from PubChem (CID 23589822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).