4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(6-cyano-3-pyridinyl)piperidine-1-carboxamide

C23H25ClN6O2 — CID 134373310

About 4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(6-cyano-3-pyridinyl)piperidine-1-carboxamide

4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(6-cyano-3-pyridinyl)piperidine-1-carboxamide (PubChem CID 134373310) has the molecular formula C23H25ClN6O2 and a molecular weight of 452.95 g/mol. Its IUPAC name is 4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(6-cyano-3-pyridinyl)piperidine-1-carboxamide.

Molecular Properties

• Compound Name: 4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(6-cyano-3-pyridinyl)piperidine-1-carboxamide
• PubChem CID: 134373310
• Molecular Formula: C23H25ClN6O2
• Molecular Weight: 452.95 g/mol
• Exact Mass: 452.17
• IUPAC Name: 4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(6-cyano-3-pyridinyl)piperidine-1-carboxamide
• SMILES: CC(C)(C1CCN(C(=O)Nc2ccc(C#N)nc2)CC1)C(O)c1cc(Cl)cc2cn[nH]c12
• InChI: InChI=1S/C23H25ClN6O2/c1-23(2,21(31)19-10-16(24)9-14-12-27-29-20(14)19)15-5-7-30(8-6-15)22(32)28-18-4-3-17(11-25)26-13-18/h3-4,9-10,12-13,15,21,31H,5-8H2,1-2H3,(H,27,29)(H,28,32)
• InChIKey: OXKOFQNTWDCFAT-UHFFFAOYSA-N
• XLogP: 4.49
• TPSA: 117.93 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	452.95
LogP ≤ 5	4.49
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(6-cyano-3-pyridinyl)piperidine-1-carboxamide?

The IUPAC name of 4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(6-cyano-3-pyridinyl)piperidine-1-carboxamide (CID 134373310) is 4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(6-cyano-3-pyridinyl)piperidine-1-carboxamide.

What is the SMILES notation for 4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(6-cyano-3-pyridinyl)piperidine-1-carboxamide?

The canonical SMILES for 4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(6-cyano-3-pyridinyl)piperidine-1-carboxamide is CC(C)(C1CCN(C(=O)Nc2ccc(C#N)nc2)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-(6-cyano-3-pyridinyl)piperidine-1-carboxamide?

The InChIKey is OXKOFQNTWDCFAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN6O2/c1-23(2,21(31)19-10-16(24)9-14-12-27-29-20(14)19)15-5-7-30(8-6-15)22(32)28-18-4-3-17(11-25)26-13-18/h3-4,9-10,12-13,15,21,31H,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-(6-cyano-3-pyridinyl)piperidine-1-carboxamide?

4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(6-cyano-3-pyridinyl)piperidine-1-carboxamide has a molecular weight of 452.95 g/mol, XLogP of 4.49, 4 rotatable bonds, 3 hydrogen bond donors, and 5 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-(6-cyano-3-pyridinyl)piperidine-1-carboxamide is sourced from PubChem (CID 134373310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).