4-benzyl-6-fluoro-3-[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]pyrazolo[1,5-a]benzimidazole-8-carboxamide

C26H30FN5O2 — CID 118447453

IUPAC4-benzyl-6-fluoro-3-[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]pyrazolo[1,5-a]benzimidazole-8-carboxamide
SMILESCC(C)(O)CN1CCC(c2cnn3c4c(C(N)=O)cc(F)cc4n(Cc4ccccc4)c23)CC1
InChIInChI=1S/C26H30FN5O2/c1-26(2,34)16-30-10-8-18(9-11-30)21-14-29-32-23-20(24(28)33)12-19(27)13-22(23)31(25(21)32)15-17-6-4-3-5-7-17/h3-7,12-14,18,34H,8-11,15-16H2,1-2H3,(H2,28,33)
InChIKeyAPIXNDSALFYMTH-UHFFFAOYSA-N
MW463.56 g/mol
LogP3.53
Rot. Bonds6

About 4-benzyl-6-fluoro-3-[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]pyrazolo[1,5-a]benzimidazole-8-carboxamide

4-benzyl-6-fluoro-3-[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]pyrazolo[1,5-a]benzimidazole-8-carboxamide (PubChem CID 118447453) has the molecular formula C26H30FN5O2 and a molecular weight of 463.56 g/mol. Its IUPAC name is 4-benzyl-6-fluoro-3-[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]pyrazolo[1,5-a]benzimidazole-8-carboxamide.

Molecular Properties

Compound Name4-benzyl-6-fluoro-3-[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]pyrazolo[1,5-a]benzimidazole-8-carboxamide
PubChem CID118447453
Molecular FormulaC26H30FN5O2
Molecular Weight463.56 g/mol
Exact Mass463.24
IUPAC Name4-benzyl-6-fluoro-3-[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]pyrazolo[1,5-a]benzimidazole-8-carboxamide
SMILESCC(C)(O)CN1CCC(c2cnn3c4c(C(N)=O)cc(F)cc4n(Cc4ccccc4)c23)CC1
InChIInChI=1S/C26H30FN5O2/c1-26(2,34)16-30-10-8-18(9-11-30)21-14-29-32-23-20(24(28)33)12-19(27)13-22(23)31(25(21)32)15-17-6-4-3-5-7-17/h3-7,12-14,18,34H,8-11,15-16H2,1-2H3,(H2,28,33)
InChIKeyAPIXNDSALFYMTH-UHFFFAOYSA-N
XLogP3.53
TPSA88.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.56
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-benzyl-6-fluoro-3-[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]pyrazolo[1,5-a]benzimidazole-8-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 4-benzyl-6-fluoro-3-[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]pyrazolo[1,5-a]benzimidazole-8-carboxamide?
The IUPAC name of 4-benzyl-6-fluoro-3-[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]pyrazolo[1,5-a]benzimidazole-8-carboxamide (CID 118447453) is 4-benzyl-6-fluoro-3-[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]pyrazolo[1,5-a]benzimidazole-8-carboxamide.
What is the SMILES notation for 4-benzyl-6-fluoro-3-[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]pyrazolo[1,5-a]benzimidazole-8-carboxamide?
The canonical SMILES for 4-benzyl-6-fluoro-3-[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]pyrazolo[1,5-a]benzimidazole-8-carboxamide is CC(C)(O)CN1CCC(c2cnn3c4c(C(N)=O)cc(F)cc4n(Cc4ccccc4)c23)CC1.
What is the InChIKey of 4-benzyl-6-fluoro-3-[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]pyrazolo[1,5-a]benzimidazole-8-carboxamide?
The InChIKey is APIXNDSALFYMTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30FN5O2/c1-26(2,34)16-30-10-8-18(9-11-30)21-14-29-32-23-20(24(28)33)12-19(27)13-22(23)31(25(21)32)15-17-6-4-3-5-7-17/h3-7,12-14,18,34H,8-11,15-16H2,1-2H3,(H2,28,33).
What are the key properties of 4-benzyl-6-fluoro-3-[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]pyrazolo[1,5-a]benzimidazole-8-carboxamide?
4-benzyl-6-fluoro-3-[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]pyrazolo[1,5-a]benzimidazole-8-carboxamide has a molecular weight of 463.56 g/mol, XLogP of 3.53, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-6-fluoro-3-[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]pyrazolo[1,5-a]benzimidazole-8-carboxamide is sourced from PubChem (CID 118447453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).