4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[(4-fluorophenyl)methyl]piperidine-1-carboxamide

C24H28ClFN4O2 — CID 134373824

About 4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[(4-fluorophenyl)methyl]piperidine-1-carboxamide

4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[(4-fluorophenyl)methyl]piperidine-1-carboxamide (PubChem CID 134373824) has the molecular formula C24H28ClFN4O2 and a molecular weight of 458.97 g/mol. Its IUPAC name is 4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[(4-fluorophenyl)methyl]piperidine-1-carboxamide.

Molecular Properties

• Compound Name: 4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[(4-fluorophenyl)methyl]piperidine-1-carboxamide
• PubChem CID: 134373824
• Molecular Formula: C24H28ClFN4O2
• Molecular Weight: 458.97 g/mol
• Exact Mass: 458.19
• IUPAC Name: 4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[(4-fluorophenyl)methyl]piperidine-1-carboxamide
• SMILES: CC(C)(C1CCN(C(=O)NCc2ccc(F)cc2)CC1)[C@H](O)c1cc(Cl)cc2cn[nH]c12
• InChI: InChI=1S/C24H28ClFN4O2/c1-24(2,22(31)20-12-18(25)11-16-14-28-29-21(16)20)17-7-9-30(10-8-17)23(32)27-13-15-3-5-19(26)6-4-15/h3-6,11-12,14,17,22,31H,7-10,13H2,1-2H3,(H,27,32)(H,28,29)/t22-/m1/s1
• InChIKey: VSGDUEPEBPMAKK-JOCHJYFZSA-N
• XLogP: 5.04
• TPSA: 81.25 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	458.97
LogP ≤ 5	5.04
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[(4-fluorophenyl)methyl]piperidine-1-carboxamide?

The IUPAC name of 4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[(4-fluorophenyl)methyl]piperidine-1-carboxamide (CID 134373824) is 4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[(4-fluorophenyl)methyl]piperidine-1-carboxamide.

What is the SMILES notation for 4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[(4-fluorophenyl)methyl]piperidine-1-carboxamide?

The canonical SMILES for 4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[(4-fluorophenyl)methyl]piperidine-1-carboxamide is CC(C)(C1CCN(C(=O)NCc2ccc(F)cc2)CC1)[C@H](O)c1cc(Cl)cc2cn[nH]c12.

What is the InChIKey of 4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[(4-fluorophenyl)methyl]piperidine-1-carboxamide?

The InChIKey is VSGDUEPEBPMAKK-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H28ClFN4O2/c1-24(2,22(31)20-12-18(25)11-16-14-28-29-21(16)20)17-7-9-30(10-8-17)23(32)27-13-15-3-5-19(26)6-4-15/h3-6,11-12,14,17,22,31H,7-10,13H2,1-2H3,(H,27,32)(H,28,29)/t22-/m1/s1.

What are the key properties of 4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[(4-fluorophenyl)methyl]piperidine-1-carboxamide?

4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[(4-fluorophenyl)methyl]piperidine-1-carboxamide has a molecular weight of 458.97 g/mol, XLogP of 5.04, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[(4-fluorophenyl)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 134373824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).