2-[[1-(3-fluoro-4-phenylbenzoyl)piperidin-4-yl]methyl]-N-(2-methoxyethyl)-4-methylindazole-5-carboxamide

C31H33FN4O3 — CID 71581795

IUPAC2-[[1-(3-fluoro-4-phenylbenzoyl)piperidin-4-yl]methyl]-N-(2-methoxyethyl)-4-methylindazole-5-carboxamide
SMILESCOCCNC(=O)c1ccc2nn(CC3CCN(C(=O)c4ccc(-c5ccccc5)c(F)c4)CC3)cc2c1C
InChIInChI=1S/C31H33FN4O3/c1-21-25(30(37)33-14-17-39-2)10-11-29-27(21)20-36(34-29)19-22-12-15-35(16-13-22)31(38)24-8-9-26(28(32)18-24)23-6-4-3-5-7-23/h3-11,18,20,22H,12-17,19H2,1-2H3,(H,33,37)
InChIKeyGDPFQCWAMCFJJG-UHFFFAOYSA-N
MW528.63 g/mol
LogP5.08
Rot. Bonds8

About 2-[[1-(3-fluoro-4-phenylbenzoyl)piperidin-4-yl]methyl]-N-(2-methoxyethyl)-4-methylindazole-5-carboxamide

2-[[1-(3-fluoro-4-phenylbenzoyl)piperidin-4-yl]methyl]-N-(2-methoxyethyl)-4-methylindazole-5-carboxamide (PubChem CID 71581795) has the molecular formula C31H33FN4O3 and a molecular weight of 528.63 g/mol. Its IUPAC name is 2-[[1-(3-fluoro-4-phenylbenzoyl)piperidin-4-yl]methyl]-N-(2-methoxyethyl)-4-methylindazole-5-carboxamide.

Molecular Properties

Compound Name2-[[1-(3-fluoro-4-phenylbenzoyl)piperidin-4-yl]methyl]-N-(2-methoxyethyl)-4-methylindazole-5-carboxamide
PubChem CID71581795
Molecular FormulaC31H33FN4O3
Molecular Weight528.63 g/mol
Exact Mass528.25
IUPAC Name2-[[1-(3-fluoro-4-phenylbenzoyl)piperidin-4-yl]methyl]-N-(2-methoxyethyl)-4-methylindazole-5-carboxamide
SMILESCOCCNC(=O)c1ccc2nn(CC3CCN(C(=O)c4ccc(-c5ccccc5)c(F)c4)CC3)cc2c1C
InChIInChI=1S/C31H33FN4O3/c1-21-25(30(37)33-14-17-39-2)10-11-29-27(21)20-36(34-29)19-22-12-15-35(16-13-22)31(38)24-8-9-26(28(32)18-24)23-6-4-3-5-7-23/h3-11,18,20,22H,12-17,19H2,1-2H3,(H,33,37)
InChIKeyGDPFQCWAMCFJJG-UHFFFAOYSA-N
XLogP5.08
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.63
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[[1-(3-fluoro-4-phenylbenzoyl)piperidin-4-yl]methyl]-N-(2-methoxyethyl)-4-methylindazole-5-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 2-[[1-(3-fluoro-4-phenylbenzoyl)piperidin-4-yl]methyl]-N-(2-methoxyethyl)-4-methylindazole-5-carboxamide?
The IUPAC name of 2-[[1-(3-fluoro-4-phenylbenzoyl)piperidin-4-yl]methyl]-N-(2-methoxyethyl)-4-methylindazole-5-carboxamide (CID 71581795) is 2-[[1-(3-fluoro-4-phenylbenzoyl)piperidin-4-yl]methyl]-N-(2-methoxyethyl)-4-methylindazole-5-carboxamide.
What is the SMILES notation for 2-[[1-(3-fluoro-4-phenylbenzoyl)piperidin-4-yl]methyl]-N-(2-methoxyethyl)-4-methylindazole-5-carboxamide?
The canonical SMILES for 2-[[1-(3-fluoro-4-phenylbenzoyl)piperidin-4-yl]methyl]-N-(2-methoxyethyl)-4-methylindazole-5-carboxamide is COCCNC(=O)c1ccc2nn(CC3CCN(C(=O)c4ccc(-c5ccccc5)c(F)c4)CC3)cc2c1C.
What is the InChIKey of 2-[[1-(3-fluoro-4-phenylbenzoyl)piperidin-4-yl]methyl]-N-(2-methoxyethyl)-4-methylindazole-5-carboxamide?
The InChIKey is GDPFQCWAMCFJJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H33FN4O3/c1-21-25(30(37)33-14-17-39-2)10-11-29-27(21)20-36(34-29)19-22-12-15-35(16-13-22)31(38)24-8-9-26(28(32)18-24)23-6-4-3-5-7-23/h3-11,18,20,22H,12-17,19H2,1-2H3,(H,33,37).
What are the key properties of 2-[[1-(3-fluoro-4-phenylbenzoyl)piperidin-4-yl]methyl]-N-(2-methoxyethyl)-4-methylindazole-5-carboxamide?
2-[[1-(3-fluoro-4-phenylbenzoyl)piperidin-4-yl]methyl]-N-(2-methoxyethyl)-4-methylindazole-5-carboxamide has a molecular weight of 528.63 g/mol, XLogP of 5.08, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(3-fluoro-4-phenylbenzoyl)piperidin-4-yl]methyl]-N-(2-methoxyethyl)-4-methylindazole-5-carboxamide is sourced from PubChem (CID 71581795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).