5-(3-fluorophenyl)-N-(1-methylpiperidin-4-yl)-1H-indazole-3-carboxamide

C20H21FN4O — CID 118381185

IUPAC5-(3-fluorophenyl)-N-(1-methylpiperidin-4-yl)-1H-indazole-3-carboxamide
SMILESCN1CCC(NC(=O)c2n[nH]c3ccc(-c4cccc(F)c4)cc23)CC1
InChIInChI=1S/C20H21FN4O/c1-25-9-7-16(8-10-25)22-20(26)19-17-12-14(5-6-18(17)23-24-19)13-3-2-4-15(21)11-13/h2-6,11-12,16H,7-10H2,1H3,(H,22,26)(H,23,24)
InChIKeySGVLEUQXBQPXAA-UHFFFAOYSA-N
MW352.41 g/mol
LogP3.19
Rot. Bonds3

About 5-(3-fluorophenyl)-N-(1-methylpiperidin-4-yl)-1H-indazole-3-carboxamide

5-(3-fluorophenyl)-N-(1-methylpiperidin-4-yl)-1H-indazole-3-carboxamide (PubChem CID 118381185) has the molecular formula C20H21FN4O and a molecular weight of 352.41 g/mol. Its IUPAC name is 5-(3-fluorophenyl)-N-(1-methylpiperidin-4-yl)-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name5-(3-fluorophenyl)-N-(1-methylpiperidin-4-yl)-1H-indazole-3-carboxamide
PubChem CID118381185
Molecular FormulaC20H21FN4O
Molecular Weight352.41 g/mol
Exact Mass352.17
IUPAC Name5-(3-fluorophenyl)-N-(1-methylpiperidin-4-yl)-1H-indazole-3-carboxamide
SMILESCN1CCC(NC(=O)c2n[nH]c3ccc(-c4cccc(F)c4)cc23)CC1
InChIInChI=1S/C20H21FN4O/c1-25-9-7-16(8-10-25)22-20(26)19-17-12-14(5-6-18(17)23-24-19)13-3-2-4-15(21)11-13/h2-6,11-12,16H,7-10H2,1H3,(H,22,26)(H,23,24)
InChIKeySGVLEUQXBQPXAA-UHFFFAOYSA-N
XLogP3.19
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-(3-fluorophenyl)-N-(1-methylpiperidin-4-yl)-1H-indazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(3-fluorophenyl)-N-(1-methylpiperidin-4-yl)-1H-indazole-3-carboxamide?
The IUPAC name of 5-(3-fluorophenyl)-N-(1-methylpiperidin-4-yl)-1H-indazole-3-carboxamide (CID 118381185) is 5-(3-fluorophenyl)-N-(1-methylpiperidin-4-yl)-1H-indazole-3-carboxamide.
What is the SMILES notation for 5-(3-fluorophenyl)-N-(1-methylpiperidin-4-yl)-1H-indazole-3-carboxamide?
The canonical SMILES for 5-(3-fluorophenyl)-N-(1-methylpiperidin-4-yl)-1H-indazole-3-carboxamide is CN1CCC(NC(=O)c2n[nH]c3ccc(-c4cccc(F)c4)cc23)CC1.
What is the InChIKey of 5-(3-fluorophenyl)-N-(1-methylpiperidin-4-yl)-1H-indazole-3-carboxamide?
The InChIKey is SGVLEUQXBQPXAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O/c1-25-9-7-16(8-10-25)22-20(26)19-17-12-14(5-6-18(17)23-24-19)13-3-2-4-15(21)11-13/h2-6,11-12,16H,7-10H2,1H3,(H,22,26)(H,23,24).
What are the key properties of 5-(3-fluorophenyl)-N-(1-methylpiperidin-4-yl)-1H-indazole-3-carboxamide?
5-(3-fluorophenyl)-N-(1-methylpiperidin-4-yl)-1H-indazole-3-carboxamide has a molecular weight of 352.41 g/mol, XLogP of 3.19, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluorophenyl)-N-(1-methylpiperidin-4-yl)-1H-indazole-3-carboxamide is sourced from PubChem (CID 118381185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).