3-(3-fluorophenyl)-7-methoxy-N-[(5-methylfuran-2-yl)methyl]-1H-indazole-5-carboxamide

C21H18FN3O3 — CID 23589692

IUPAC3-(3-fluorophenyl)-7-methoxy-N-[(5-methylfuran-2-yl)methyl]-1H-indazole-5-carboxamide
SMILESCOc1cc(C(=O)NCc2ccc(C)o2)cc2c(-c3cccc(F)c3)n[nH]c12
InChIInChI=1S/C21H18FN3O3/c1-12-6-7-16(28-12)11-23-21(26)14-9-17-19(13-4-3-5-15(22)8-13)24-25-20(17)18(10-14)27-2/h3-10H,11H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyKRSQYQKYJVQPIK-UHFFFAOYSA-N
MW379.39 g/mol
LogP4.21
Rot. Bonds5

About 3-(3-fluorophenyl)-7-methoxy-N-[(5-methylfuran-2-yl)methyl]-1H-indazole-5-carboxamide

3-(3-fluorophenyl)-7-methoxy-N-[(5-methylfuran-2-yl)methyl]-1H-indazole-5-carboxamide (PubChem CID 23589692) has the molecular formula C21H18FN3O3 and a molecular weight of 379.39 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-7-methoxy-N-[(5-methylfuran-2-yl)methyl]-1H-indazole-5-carboxamide.

Molecular Properties

Compound Name3-(3-fluorophenyl)-7-methoxy-N-[(5-methylfuran-2-yl)methyl]-1H-indazole-5-carboxamide
PubChem CID23589692
Molecular FormulaC21H18FN3O3
Molecular Weight379.39 g/mol
Exact Mass379.13
IUPAC Name3-(3-fluorophenyl)-7-methoxy-N-[(5-methylfuran-2-yl)methyl]-1H-indazole-5-carboxamide
SMILESCOc1cc(C(=O)NCc2ccc(C)o2)cc2c(-c3cccc(F)c3)n[nH]c12
InChIInChI=1S/C21H18FN3O3/c1-12-6-7-16(28-12)11-23-21(26)14-9-17-19(13-4-3-5-15(22)8-13)24-25-20(17)18(10-14)27-2/h3-10H,11H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyKRSQYQKYJVQPIK-UHFFFAOYSA-N
XLogP4.21
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.39
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-7-methoxy-N-[(5-methylfuran-2-yl)methyl]-1H-indazole-5-carboxamide?
The IUPAC name of 3-(3-fluorophenyl)-7-methoxy-N-[(5-methylfuran-2-yl)methyl]-1H-indazole-5-carboxamide (CID 23589692) is 3-(3-fluorophenyl)-7-methoxy-N-[(5-methylfuran-2-yl)methyl]-1H-indazole-5-carboxamide.
What is the SMILES notation for 3-(3-fluorophenyl)-7-methoxy-N-[(5-methylfuran-2-yl)methyl]-1H-indazole-5-carboxamide?
The canonical SMILES for 3-(3-fluorophenyl)-7-methoxy-N-[(5-methylfuran-2-yl)methyl]-1H-indazole-5-carboxamide is COc1cc(C(=O)NCc2ccc(C)o2)cc2c(-c3cccc(F)c3)n[nH]c12.
What is the InChIKey of 3-(3-fluorophenyl)-7-methoxy-N-[(5-methylfuran-2-yl)methyl]-1H-indazole-5-carboxamide?
The InChIKey is KRSQYQKYJVQPIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN3O3/c1-12-6-7-16(28-12)11-23-21(26)14-9-17-19(13-4-3-5-15(22)8-13)24-25-20(17)18(10-14)27-2/h3-10H,11H2,1-2H3,(H,23,26)(H,24,25).
What are the key properties of 3-(3-fluorophenyl)-7-methoxy-N-[(5-methylfuran-2-yl)methyl]-1H-indazole-5-carboxamide?
3-(3-fluorophenyl)-7-methoxy-N-[(5-methylfuran-2-yl)methyl]-1H-indazole-5-carboxamide has a molecular weight of 379.39 g/mol, XLogP of 4.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-7-methoxy-N-[(5-methylfuran-2-yl)methyl]-1H-indazole-5-carboxamide is sourced from PubChem (CID 23589692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).