3-(3-fluorophenyl)-N-(furan-2-ylmethyl)-7-methyl-2H-indazole-5-carboxamide

C20H16FN3O2 — CID 23589707

IUPAC3-(3-fluorophenyl)-N-(furan-2-ylmethyl)-7-methyl-2H-indazole-5-carboxamide
SMILESCc1cc(C(=O)NCc2ccco2)cc2c(-c3cccc(F)c3)[nH]nc12
InChIInChI=1S/C20H16FN3O2/c1-12-8-14(20(25)22-11-16-6-3-7-26-16)10-17-18(12)23-24-19(17)13-4-2-5-15(21)9-13/h2-10H,11H2,1H3,(H,22,25)(H,23,24)
InChIKeyFCPKXADNMDPCCX-UHFFFAOYSA-N
MW349.37 g/mol
LogP4.20
Rot. Bonds4

About 3-(3-fluorophenyl)-N-(furan-2-ylmethyl)-7-methyl-2H-indazole-5-carboxamide

3-(3-fluorophenyl)-N-(furan-2-ylmethyl)-7-methyl-2H-indazole-5-carboxamide (PubChem CID 23589707) has the molecular formula C20H16FN3O2 and a molecular weight of 349.37 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-N-(furan-2-ylmethyl)-7-methyl-2H-indazole-5-carboxamide.

Molecular Properties

Compound Name3-(3-fluorophenyl)-N-(furan-2-ylmethyl)-7-methyl-2H-indazole-5-carboxamide
PubChem CID23589707
Molecular FormulaC20H16FN3O2
Molecular Weight349.37 g/mol
Exact Mass349.12
IUPAC Name3-(3-fluorophenyl)-N-(furan-2-ylmethyl)-7-methyl-2H-indazole-5-carboxamide
SMILESCc1cc(C(=O)NCc2ccco2)cc2c(-c3cccc(F)c3)[nH]nc12
InChIInChI=1S/C20H16FN3O2/c1-12-8-14(20(25)22-11-16-6-3-7-26-16)10-17-18(12)23-24-19(17)13-4-2-5-15(21)9-13/h2-10H,11H2,1H3,(H,22,25)(H,23,24)
InChIKeyFCPKXADNMDPCCX-UHFFFAOYSA-N
XLogP4.20
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.37
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-N-(furan-2-ylmethyl)-7-methyl-2H-indazole-5-carboxamide?
The IUPAC name of 3-(3-fluorophenyl)-N-(furan-2-ylmethyl)-7-methyl-2H-indazole-5-carboxamide (CID 23589707) is 3-(3-fluorophenyl)-N-(furan-2-ylmethyl)-7-methyl-2H-indazole-5-carboxamide.
What is the SMILES notation for 3-(3-fluorophenyl)-N-(furan-2-ylmethyl)-7-methyl-2H-indazole-5-carboxamide?
The canonical SMILES for 3-(3-fluorophenyl)-N-(furan-2-ylmethyl)-7-methyl-2H-indazole-5-carboxamide is Cc1cc(C(=O)NCc2ccco2)cc2c(-c3cccc(F)c3)[nH]nc12.
What is the InChIKey of 3-(3-fluorophenyl)-N-(furan-2-ylmethyl)-7-methyl-2H-indazole-5-carboxamide?
The InChIKey is FCPKXADNMDPCCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN3O2/c1-12-8-14(20(25)22-11-16-6-3-7-26-16)10-17-18(12)23-24-19(17)13-4-2-5-15(21)9-13/h2-10H,11H2,1H3,(H,22,25)(H,23,24).
What are the key properties of 3-(3-fluorophenyl)-N-(furan-2-ylmethyl)-7-methyl-2H-indazole-5-carboxamide?
3-(3-fluorophenyl)-N-(furan-2-ylmethyl)-7-methyl-2H-indazole-5-carboxamide has a molecular weight of 349.37 g/mol, XLogP of 4.20, 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)-7-methyl-2H-indazole-5-carboxamide is sourced from PubChem (CID 23589707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).