4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-pyridin-3-ylpiperidine-1-carboxamide

C22H26ClN5O2 — CID 134410293

About 4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-pyridin-3-ylpiperidine-1-carboxamide

4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-pyridin-3-ylpiperidine-1-carboxamide (PubChem CID 134410293) has the molecular formula C22H26ClN5O2 and a molecular weight of 427.94 g/mol. Its IUPAC name is 4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-pyridin-3-ylpiperidine-1-carboxamide.

Molecular Properties

• Compound Name: 4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-pyridin-3-ylpiperidine-1-carboxamide
• PubChem CID: 134410293
• Molecular Formula: C22H26ClN5O2
• Molecular Weight: 427.94 g/mol
• Exact Mass: 427.18
• IUPAC Name: 4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-pyridin-3-ylpiperidine-1-carboxamide
• SMILES: CC(C)(C1CCN(C(=O)Nc2cccnc2)CC1)[C@H](O)c1cc(Cl)cc2cn[nH]c12
• InChI: InChI=1S/C22H26ClN5O2/c1-22(2,20(29)18-11-16(23)10-14-12-25-27-19(14)18)15-5-8-28(9-6-15)21(30)26-17-4-3-7-24-13-17/h3-4,7,10-13,15,20,29H,5-6,8-9H2,1-2H3,(H,25,27)(H,26,30)/t20-/m1/s1
• InChIKey: HRTVJTGLUZBTJB-HXUWFJFHSA-N
• XLogP: 4.61
• TPSA: 94.14 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	427.94
LogP ≤ 5	4.61
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

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-pyridin-3-ylpiperidine-1-carboxamide?

The IUPAC name of 4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-pyridin-3-ylpiperidine-1-carboxamide (CID 134410293) is 4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-pyridin-3-ylpiperidine-1-carboxamide.

What is the SMILES notation for 4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-pyridin-3-ylpiperidine-1-carboxamide?

The canonical SMILES for 4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-pyridin-3-ylpiperidine-1-carboxamide is CC(C)(C1CCN(C(=O)Nc2cccnc2)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-pyridin-3-ylpiperidine-1-carboxamide?

The InChIKey is HRTVJTGLUZBTJB-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H26ClN5O2/c1-22(2,20(29)18-11-16(23)10-14-12-25-27-19(14)18)15-5-8-28(9-6-15)21(30)26-17-4-3-7-24-13-17/h3-4,7,10-13,15,20,29H,5-6,8-9H2,1-2H3,(H,25,27)(H,26,30)/t20-/m1/s1.

What are the key properties of 4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-pyridin-3-ylpiperidine-1-carboxamide?

4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-pyridin-3-ylpiperidine-1-carboxamide has a molecular weight of 427.94 g/mol, XLogP of 4.61, 4 rotatable bonds, 3 hydrogen bond donors, and 4 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-pyridin-3-ylpiperidine-1-carboxamide is sourced from PubChem (CID 134410293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).