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

C20H16FN3O3 — CID 23589705

IUPAC3-(3-fluorophenyl)-N-(furan-2-ylmethyl)-6-methoxy-1H-indazole-5-carboxamide
SMILESCOc1cc2[nH]nc(-c3cccc(F)c3)c2cc1C(=O)NCc1ccco1
InChIInChI=1S/C20H16FN3O3/c1-26-18-10-17-15(19(24-23-17)12-4-2-5-13(21)8-12)9-16(18)20(25)22-11-14-6-3-7-27-14/h2-10H,11H2,1H3,(H,22,25)(H,23,24)
InChIKeyPZSHBGHUVYNBQT-UHFFFAOYSA-N
MW365.36 g/mol
LogP3.90
Rot. Bonds5

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

3-(3-fluorophenyl)-N-(furan-2-ylmethyl)-6-methoxy-1H-indazole-5-carboxamide (PubChem CID 23589705) has the molecular formula C20H16FN3O3 and a molecular weight of 365.36 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-N-(furan-2-ylmethyl)-6-methoxy-1H-indazole-5-carboxamide.

Molecular Properties

Compound Name3-(3-fluorophenyl)-N-(furan-2-ylmethyl)-6-methoxy-1H-indazole-5-carboxamide
PubChem CID23589705
Molecular FormulaC20H16FN3O3
Molecular Weight365.36 g/mol
Exact Mass365.12
IUPAC Name3-(3-fluorophenyl)-N-(furan-2-ylmethyl)-6-methoxy-1H-indazole-5-carboxamide
SMILESCOc1cc2[nH]nc(-c3cccc(F)c3)c2cc1C(=O)NCc1ccco1
InChIInChI=1S/C20H16FN3O3/c1-26-18-10-17-15(19(24-23-17)12-4-2-5-13(21)8-12)9-16(18)20(25)22-11-14-6-3-7-27-14/h2-10H,11H2,1H3,(H,22,25)(H,23,24)
InChIKeyPZSHBGHUVYNBQT-UHFFFAOYSA-N
XLogP3.90
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.36
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-N-(furan-2-ylmethyl)-6-methoxy-1H-indazole-5-carboxamide?
The IUPAC name of 3-(3-fluorophenyl)-N-(furan-2-ylmethyl)-6-methoxy-1H-indazole-5-carboxamide (CID 23589705) is 3-(3-fluorophenyl)-N-(furan-2-ylmethyl)-6-methoxy-1H-indazole-5-carboxamide.
What is the SMILES notation for 3-(3-fluorophenyl)-N-(furan-2-ylmethyl)-6-methoxy-1H-indazole-5-carboxamide?
The canonical SMILES for 3-(3-fluorophenyl)-N-(furan-2-ylmethyl)-6-methoxy-1H-indazole-5-carboxamide is COc1cc2[nH]nc(-c3cccc(F)c3)c2cc1C(=O)NCc1ccco1.
What is the InChIKey of 3-(3-fluorophenyl)-N-(furan-2-ylmethyl)-6-methoxy-1H-indazole-5-carboxamide?
The InChIKey is PZSHBGHUVYNBQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN3O3/c1-26-18-10-17-15(19(24-23-17)12-4-2-5-13(21)8-12)9-16(18)20(25)22-11-14-6-3-7-27-14/h2-10H,11H2,1H3,(H,22,25)(H,23,24).
What are the key properties of 3-(3-fluorophenyl)-N-(furan-2-ylmethyl)-6-methoxy-1H-indazole-5-carboxamide?
3-(3-fluorophenyl)-N-(furan-2-ylmethyl)-6-methoxy-1H-indazole-5-carboxamide has a molecular weight of 365.36 g/mol, XLogP of 3.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-N-(furan-2-ylmethyl)-6-methoxy-1H-indazole-5-carboxamide is sourced from PubChem (CID 23589705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).