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

C19H14FN3O2 — CID 22260712

IUPAC3-(3-fluorophenyl)-N-(furan-2-ylmethyl)-1H-indazole-5-carboxamide
SMILESO=C(NCc1ccco1)c1ccc2[nH]nc(-c3cccc(F)c3)c2c1
InChIInChI=1S/C19H14FN3O2/c20-14-4-1-3-12(9-14)18-16-10-13(6-7-17(16)22-23-18)19(24)21-11-15-5-2-8-25-15/h1-10H,11H2,(H,21,24)(H,22,23)
InChIKeyZYPPVQAANMCEBD-UHFFFAOYSA-N
MW335.34 g/mol
LogP3.89
Rot. Bonds4

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

3-(3-fluorophenyl)-N-(furan-2-ylmethyl)-1H-indazole-5-carboxamide (PubChem CID 22260712) has the molecular formula C19H14FN3O2 and a molecular weight of 335.34 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-N-(furan-2-ylmethyl)-1H-indazole-5-carboxamide.

Molecular Properties

Compound Name3-(3-fluorophenyl)-N-(furan-2-ylmethyl)-1H-indazole-5-carboxamide
PubChem CID22260712
Molecular FormulaC19H14FN3O2
Molecular Weight335.34 g/mol
Exact Mass335.11
IUPAC Name3-(3-fluorophenyl)-N-(furan-2-ylmethyl)-1H-indazole-5-carboxamide
SMILESO=C(NCc1ccco1)c1ccc2[nH]nc(-c3cccc(F)c3)c2c1
InChIInChI=1S/C19H14FN3O2/c20-14-4-1-3-12(9-14)18-16-10-13(6-7-17(16)22-23-18)19(24)21-11-15-5-2-8-25-15/h1-10H,11H2,(H,21,24)(H,22,23)
InChIKeyZYPPVQAANMCEBD-UHFFFAOYSA-N
XLogP3.89
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.34
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-{[cis-4-(2-Phenoxyethyl)cyclohexyl]methyl}-1H-indazole-5-carboxamide
CID 44442113
US10023564, Example 32
CID 118888920
US10023564, Example 35
CID 118888927
1-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-2,3-dimethylindole-5-carboxamide
CID 16025899
furan-2-yl(3-phenyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl)methanone
CID 17583658
3-[3-(2-piperidin-1-ylethoxy)phenyl]-1H-indazole-5-carboxamide
CID 22479726
ALP-POS-02c6a514-31
CID 156906916
ALP-POS-02c6a514-48
CID 156906924
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 1H-indazole-3-carboxylate
CID 2087463
N-(furan-2-ylmethyl)-5-phenyl-1H-pyrazole-3-carboxamide
CID 8867965
3-(5-fluoro-2-propoxyphenyl)-N-(furan-2-ylmethyl)-1H-pyrazole-5-carboxamide
CID 46944203
3-(4-fluoro-2-methylphenyl)-N-(furan-2-ylmethyl)-1H-pyrazole-5-carboxamide
CID 49790577

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-N-(furan-2-ylmethyl)-1H-indazole-5-carboxamide?
The IUPAC name of 3-(3-fluorophenyl)-N-(furan-2-ylmethyl)-1H-indazole-5-carboxamide (CID 22260712) is 3-(3-fluorophenyl)-N-(furan-2-ylmethyl)-1H-indazole-5-carboxamide.
What is the SMILES notation for 3-(3-fluorophenyl)-N-(furan-2-ylmethyl)-1H-indazole-5-carboxamide?
The canonical SMILES for 3-(3-fluorophenyl)-N-(furan-2-ylmethyl)-1H-indazole-5-carboxamide is O=C(NCc1ccco1)c1ccc2[nH]nc(-c3cccc(F)c3)c2c1.
What is the InChIKey of 3-(3-fluorophenyl)-N-(furan-2-ylmethyl)-1H-indazole-5-carboxamide?
The InChIKey is ZYPPVQAANMCEBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN3O2/c20-14-4-1-3-12(9-14)18-16-10-13(6-7-17(16)22-23-18)19(24)21-11-15-5-2-8-25-15/h1-10H,11H2,(H,21,24)(H,22,23).
What are the key properties of 3-(3-fluorophenyl)-N-(furan-2-ylmethyl)-1H-indazole-5-carboxamide?
3-(3-fluorophenyl)-N-(furan-2-ylmethyl)-1H-indazole-5-carboxamide has a molecular weight of 335.34 g/mol, XLogP of 3.89, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-N-(furan-2-ylmethyl)-1H-indazole-5-carboxamide is sourced from PubChem (CID 22260712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).