5-(2-fluorophenyl)-N-(1-methylpiperidin-4-yl)-1H-indazole-3-carboxamide

C20H21FN4O — CID 118381113

IUPAC5-(2-fluorophenyl)-N-(1-methylpiperidin-4-yl)-1H-indazole-3-carboxamide
SMILESCN1CCC(NC(=O)c2n[nH]c3ccc(-c4ccccc4F)cc23)CC1
InChIInChI=1S/C20H21FN4O/c1-25-10-8-14(9-11-25)22-20(26)19-16-12-13(6-7-18(16)23-24-19)15-4-2-3-5-17(15)21/h2-7,12,14H,8-11H2,1H3,(H,22,26)(H,23,24)
InChIKeyLWYFNNRUOAVPFZ-UHFFFAOYSA-N
MW352.41 g/mol
LogP3.19
Rot. Bonds3

About 5-(2-fluorophenyl)-N-(1-methylpiperidin-4-yl)-1H-indazole-3-carboxamide

5-(2-fluorophenyl)-N-(1-methylpiperidin-4-yl)-1H-indazole-3-carboxamide (PubChem CID 118381113) has the molecular formula C20H21FN4O and a molecular weight of 352.41 g/mol. Its IUPAC name is 5-(2-fluorophenyl)-N-(1-methylpiperidin-4-yl)-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name5-(2-fluorophenyl)-N-(1-methylpiperidin-4-yl)-1H-indazole-3-carboxamide
PubChem CID118381113
Molecular FormulaC20H21FN4O
Molecular Weight352.41 g/mol
Exact Mass352.17
IUPAC Name5-(2-fluorophenyl)-N-(1-methylpiperidin-4-yl)-1H-indazole-3-carboxamide
SMILESCN1CCC(NC(=O)c2n[nH]c3ccc(-c4ccccc4F)cc23)CC1
InChIInChI=1S/C20H21FN4O/c1-25-10-8-14(9-11-25)22-20(26)19-16-12-13(6-7-18(16)23-24-19)15-4-2-3-5-17(15)21/h2-7,12,14H,8-11H2,1H3,(H,22,26)(H,23,24)
InChIKeyLWYFNNRUOAVPFZ-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

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Frequently Asked Questions

What is the IUPAC name of 5-(2-fluorophenyl)-N-(1-methylpiperidin-4-yl)-1H-indazole-3-carboxamide?
The IUPAC name of 5-(2-fluorophenyl)-N-(1-methylpiperidin-4-yl)-1H-indazole-3-carboxamide (CID 118381113) is 5-(2-fluorophenyl)-N-(1-methylpiperidin-4-yl)-1H-indazole-3-carboxamide.
What is the SMILES notation for 5-(2-fluorophenyl)-N-(1-methylpiperidin-4-yl)-1H-indazole-3-carboxamide?
The canonical SMILES for 5-(2-fluorophenyl)-N-(1-methylpiperidin-4-yl)-1H-indazole-3-carboxamide is CN1CCC(NC(=O)c2n[nH]c3ccc(-c4ccccc4F)cc23)CC1.
What is the InChIKey of 5-(2-fluorophenyl)-N-(1-methylpiperidin-4-yl)-1H-indazole-3-carboxamide?
The InChIKey is LWYFNNRUOAVPFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O/c1-25-10-8-14(9-11-25)22-20(26)19-16-12-13(6-7-18(16)23-24-19)15-4-2-3-5-17(15)21/h2-7,12,14H,8-11H2,1H3,(H,22,26)(H,23,24).
What are the key properties of 5-(2-fluorophenyl)-N-(1-methylpiperidin-4-yl)-1H-indazole-3-carboxamide?
5-(2-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-(2-fluorophenyl)-N-(1-methylpiperidin-4-yl)-1H-indazole-3-carboxamide is sourced from PubChem (CID 118381113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).