1-(4-fluorophenyl)-N-[(3-methoxyphenyl)methyl]indazole-4-carboxamide

C22H18FN3O2 — CID 58138800

IUPAC1-(4-fluorophenyl)-N-[(3-methoxyphenyl)methyl]indazole-4-carboxamide
SMILESCOc1cccc(CNC(=O)c2cccc3c2cnn3-c2ccc(F)cc2)c1
InChIInChI=1S/C22H18FN3O2/c1-28-18-5-2-4-15(12-18)13-24-22(27)19-6-3-7-21-20(19)14-25-26(21)17-10-8-16(23)9-11-17/h2-12,14H,13H2,1H3,(H,24,27)
InChIKeyZJSSHQZGJKPACR-UHFFFAOYSA-N
MW375.40 g/mol
LogP4.10
Rot. Bonds5

About 1-(4-fluorophenyl)-N-[(3-methoxyphenyl)methyl]indazole-4-carboxamide

1-(4-fluorophenyl)-N-[(3-methoxyphenyl)methyl]indazole-4-carboxamide (PubChem CID 58138800) has the molecular formula C22H18FN3O2 and a molecular weight of 375.40 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[(3-methoxyphenyl)methyl]indazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[(3-methoxyphenyl)methyl]indazole-4-carboxamide
PubChem CID58138800
Molecular FormulaC22H18FN3O2
Molecular Weight375.40 g/mol
Exact Mass375.14
IUPAC Name1-(4-fluorophenyl)-N-[(3-methoxyphenyl)methyl]indazole-4-carboxamide
SMILESCOc1cccc(CNC(=O)c2cccc3c2cnn3-c2ccc(F)cc2)c1
InChIInChI=1S/C22H18FN3O2/c1-28-18-5-2-4-15(12-18)13-24-22(27)19-6-3-7-21-20(19)14-25-26(21)17-10-8-16(23)9-11-17/h2-12,14H,13H2,1H3,(H,24,27)
InChIKeyZJSSHQZGJKPACR-UHFFFAOYSA-N
XLogP4.10
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.40
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[(3-methoxyphenyl)methyl]indazole-4-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[(3-methoxyphenyl)methyl]indazole-4-carboxamide (CID 58138800) is 1-(4-fluorophenyl)-N-[(3-methoxyphenyl)methyl]indazole-4-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[(3-methoxyphenyl)methyl]indazole-4-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[(3-methoxyphenyl)methyl]indazole-4-carboxamide is COc1cccc(CNC(=O)c2cccc3c2cnn3-c2ccc(F)cc2)c1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[(3-methoxyphenyl)methyl]indazole-4-carboxamide?
The InChIKey is ZJSSHQZGJKPACR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN3O2/c1-28-18-5-2-4-15(12-18)13-24-22(27)19-6-3-7-21-20(19)14-25-26(21)17-10-8-16(23)9-11-17/h2-12,14H,13H2,1H3,(H,24,27).
What are the key properties of 1-(4-fluorophenyl)-N-[(3-methoxyphenyl)methyl]indazole-4-carboxamide?
1-(4-fluorophenyl)-N-[(3-methoxyphenyl)methyl]indazole-4-carboxamide has a molecular weight of 375.40 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[(3-methoxyphenyl)methyl]indazole-4-carboxamide is sourced from PubChem (CID 58138800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).