5-(2-fluorophenyl)-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1H-indazole-3-carboxamide

C23H27FN4O2 — CID 71714649

IUPAC5-(2-fluorophenyl)-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1H-indazole-3-carboxamide
SMILESCOCCN1CCC(CNC(=O)c2n[nH]c3ccc(-c4ccccc4F)cc23)CC1
InChIInChI=1S/C23H27FN4O2/c1-30-13-12-28-10-8-16(9-11-28)15-25-23(29)22-19-14-17(6-7-21(19)26-27-22)18-4-2-3-5-20(18)24/h2-7,14,16H,8-13,15H2,1H3,(H,25,29)(H,26,27)
InChIKeyRHFZCROGUQMPSL-UHFFFAOYSA-N
MW410.49 g/mol
LogP3.46
Rot. Bonds7

About 5-(2-fluorophenyl)-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1H-indazole-3-carboxamide

5-(2-fluorophenyl)-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1H-indazole-3-carboxamide (PubChem CID 71714649) has the molecular formula C23H27FN4O2 and a molecular weight of 410.49 g/mol. Its IUPAC name is 5-(2-fluorophenyl)-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name5-(2-fluorophenyl)-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1H-indazole-3-carboxamide
PubChem CID71714649
Molecular FormulaC23H27FN4O2
Molecular Weight410.49 g/mol
Exact Mass410.21
IUPAC Name5-(2-fluorophenyl)-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1H-indazole-3-carboxamide
SMILESCOCCN1CCC(CNC(=O)c2n[nH]c3ccc(-c4ccccc4F)cc23)CC1
InChIInChI=1S/C23H27FN4O2/c1-30-13-12-28-10-8-16(9-11-28)15-25-23(29)22-19-14-17(6-7-21(19)26-27-22)18-4-2-3-5-20(18)24/h2-7,14,16H,8-13,15H2,1H3,(H,25,29)(H,26,27)
InChIKeyRHFZCROGUQMPSL-UHFFFAOYSA-N
XLogP3.46
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.49
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-fluorophenyl)-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1H-indazole-3-carboxamide?
The IUPAC name of 5-(2-fluorophenyl)-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1H-indazole-3-carboxamide (CID 71714649) is 5-(2-fluorophenyl)-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1H-indazole-3-carboxamide.
What is the SMILES notation for 5-(2-fluorophenyl)-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1H-indazole-3-carboxamide?
The canonical SMILES for 5-(2-fluorophenyl)-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1H-indazole-3-carboxamide is COCCN1CCC(CNC(=O)c2n[nH]c3ccc(-c4ccccc4F)cc23)CC1.
What is the InChIKey of 5-(2-fluorophenyl)-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1H-indazole-3-carboxamide?
The InChIKey is RHFZCROGUQMPSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN4O2/c1-30-13-12-28-10-8-16(9-11-28)15-25-23(29)22-19-14-17(6-7-21(19)26-27-22)18-4-2-3-5-20(18)24/h2-7,14,16H,8-13,15H2,1H3,(H,25,29)(H,26,27).
What are the key properties of 5-(2-fluorophenyl)-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1H-indazole-3-carboxamide?
5-(2-fluorophenyl)-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1H-indazole-3-carboxamide has a molecular weight of 410.49 g/mol, XLogP of 3.46, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluorophenyl)-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 71714649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).