4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2,4-difluorophenyl)piperidine-1-carboxamide

C23H25ClF2N4O2 — CID 134373872

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

4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2,4-difluorophenyl)piperidine-1-carboxamide (PubChem CID 134373872) has the molecular formula C23H25ClF2N4O2 and a molecular weight of 462.93 g/mol. Its IUPAC name is 4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2,4-difluorophenyl)piperidine-1-carboxamide.

Molecular Properties

• Compound Name: 4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2,4-difluorophenyl)piperidine-1-carboxamide
• PubChem CID: 134373872
• Molecular Formula: C23H25ClF2N4O2
• Molecular Weight: 462.93 g/mol
• Exact Mass: 462.16
• IUPAC Name: 4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2,4-difluorophenyl)piperidine-1-carboxamide
• SMILES: CC(C)(C1CCN(C(=O)Nc2ccc(F)cc2F)CC1)C(O)c1cc(Cl)cc2cn[nH]c12
• InChI: InChI=1S/C23H25ClF2N4O2/c1-23(2,21(31)17-10-15(24)9-13-12-27-29-20(13)17)14-5-7-30(8-6-14)22(32)28-19-4-3-16(25)11-18(19)26/h3-4,9-12,14,21,31H,5-8H2,1-2H3,(H,27,29)(H,28,32)
• InChIKey: MEAXMZXMAUEPKS-UHFFFAOYSA-N
• XLogP: 5.50
• TPSA: 81.25 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	462.93
LogP ≤ 5	5.50
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of 4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2,4-difluorophenyl)piperidine-1-carboxamide (CID 134373872) is 4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2,4-difluorophenyl)piperidine-1-carboxamide.

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

The canonical SMILES for 4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2,4-difluorophenyl)piperidine-1-carboxamide is CC(C)(C1CCN(C(=O)Nc2ccc(F)cc2F)CC1)C(O)c1cc(Cl)cc2cn[nH]c12.

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

The InChIKey is MEAXMZXMAUEPKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClF2N4O2/c1-23(2,21(31)17-10-15(24)9-13-12-27-29-20(13)17)14-5-7-30(8-6-14)22(32)28-19-4-3-16(25)11-18(19)26/h3-4,9-12,14,21,31H,5-8H2,1-2H3,(H,27,29)(H,28,32).

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

4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2,4-difluorophenyl)piperidine-1-carboxamide has a molecular weight of 462.93 g/mol, XLogP of 5.50, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2,4-difluorophenyl)piperidine-1-carboxamide is sourced from PubChem (CID 134373872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).