3-(3-fluorophenyl)-7-methyl-N-[(5-methylfuran-2-yl)methyl]-2H-indazole-5-carboxamide

C21H18FN3O2 — CID 23589696

IUPAC3-(3-fluorophenyl)-7-methyl-N-[(5-methylfuran-2-yl)methyl]-2H-indazole-5-carboxamide
SMILESCc1ccc(CNC(=O)c2cc(C)c3n[nH]c(-c4cccc(F)c4)c3c2)o1
InChIInChI=1S/C21H18FN3O2/c1-12-8-15(21(26)23-11-17-7-6-13(2)27-17)10-18-19(12)24-25-20(18)14-4-3-5-16(22)9-14/h3-10H,11H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyUOALTVWJFSNMKV-UHFFFAOYSA-N
MW363.39 g/mol
LogP4.51
Rot. Bonds4

About 3-(3-fluorophenyl)-7-methyl-N-[(5-methylfuran-2-yl)methyl]-2H-indazole-5-carboxamide

3-(3-fluorophenyl)-7-methyl-N-[(5-methylfuran-2-yl)methyl]-2H-indazole-5-carboxamide (PubChem CID 23589696) has the molecular formula C21H18FN3O2 and a molecular weight of 363.39 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-7-methyl-N-[(5-methylfuran-2-yl)methyl]-2H-indazole-5-carboxamide.

Molecular Properties

Compound Name3-(3-fluorophenyl)-7-methyl-N-[(5-methylfuran-2-yl)methyl]-2H-indazole-5-carboxamide
PubChem CID23589696
Molecular FormulaC21H18FN3O2
Molecular Weight363.39 g/mol
Exact Mass363.14
IUPAC Name3-(3-fluorophenyl)-7-methyl-N-[(5-methylfuran-2-yl)methyl]-2H-indazole-5-carboxamide
SMILESCc1ccc(CNC(=O)c2cc(C)c3n[nH]c(-c4cccc(F)c4)c3c2)o1
InChIInChI=1S/C21H18FN3O2/c1-12-8-15(21(26)23-11-17-7-6-13(2)27-17)10-18-19(12)24-25-20(18)14-4-3-5-16(22)9-14/h3-10H,11H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyUOALTVWJFSNMKV-UHFFFAOYSA-N
XLogP4.51
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.39
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-7-methyl-N-[(5-methylfuran-2-yl)methyl]-2H-indazole-5-carboxamide?
The IUPAC name of 3-(3-fluorophenyl)-7-methyl-N-[(5-methylfuran-2-yl)methyl]-2H-indazole-5-carboxamide (CID 23589696) is 3-(3-fluorophenyl)-7-methyl-N-[(5-methylfuran-2-yl)methyl]-2H-indazole-5-carboxamide.
What is the SMILES notation for 3-(3-fluorophenyl)-7-methyl-N-[(5-methylfuran-2-yl)methyl]-2H-indazole-5-carboxamide?
The canonical SMILES for 3-(3-fluorophenyl)-7-methyl-N-[(5-methylfuran-2-yl)methyl]-2H-indazole-5-carboxamide is Cc1ccc(CNC(=O)c2cc(C)c3n[nH]c(-c4cccc(F)c4)c3c2)o1.
What is the InChIKey of 3-(3-fluorophenyl)-7-methyl-N-[(5-methylfuran-2-yl)methyl]-2H-indazole-5-carboxamide?
The InChIKey is UOALTVWJFSNMKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN3O2/c1-12-8-15(21(26)23-11-17-7-6-13(2)27-17)10-18-19(12)24-25-20(18)14-4-3-5-16(22)9-14/h3-10H,11H2,1-2H3,(H,23,26)(H,24,25).
What are the key properties of 3-(3-fluorophenyl)-7-methyl-N-[(5-methylfuran-2-yl)methyl]-2H-indazole-5-carboxamide?
3-(3-fluorophenyl)-7-methyl-N-[(5-methylfuran-2-yl)methyl]-2H-indazole-5-carboxamide has a molecular weight of 363.39 g/mol, XLogP of 4.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-7-methyl-N-[(5-methylfuran-2-yl)methyl]-2H-indazole-5-carboxamide is sourced from PubChem (CID 23589696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).