4-amino-1-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-(6-methoxy-3-pyridinyl)piperidine-4-carboxamide

C29H32N8O4 — CID 155296195

About 4-amino-1-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-(6-methoxy-3-pyridinyl)piperidine-4-carboxamide

4-amino-1-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-(6-methoxy-3-pyridinyl)piperidine-4-carboxamide (PubChem CID 155296195) has the molecular formula C29H32N8O4 and a molecular weight of 556.63 g/mol. Its IUPAC name is 4-amino-1-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-(6-methoxy-3-pyridinyl)piperidine-4-carboxamide.

Molecular Properties

• Compound Name: 4-amino-1-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-(6-methoxy-3-pyridinyl)piperidine-4-carboxamide
• PubChem CID: 155296195
• Molecular Formula: C29H32N8O4
• Molecular Weight: 556.63 g/mol
• Exact Mass: 556.25
• IUPAC Name: 4-amino-1-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-(6-methoxy-3-pyridinyl)piperidine-4-carboxamide
• SMILES: COc1ccc(NC(=O)C2(N)CCN(c3ccc(-c4cc(OCC(C)(C)O)cn5ncc(C#N)c45)cn3)CC2)cn1
• InChI: InChI=1S/C29H32N8O4/c1-28(2,39)18-41-22-12-23(26-20(13-30)15-34-37(26)17-22)19-4-6-24(32-14-19)36-10-8-29(31,9-11-36)27(38)35-21-5-7-25(40-3)33-16-21/h4-7,12,14-17,39H,8-11,18,31H2,1-3H3,(H,35,38)
• InChIKey: IIDSVUVFNQQQIA-UHFFFAOYSA-N
• XLogP: 2.76
• TPSA: 163.92 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 8
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	556.63
LogP ≤ 5	2.76
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-(6-methoxy-3-pyridinyl)piperidine-4-carboxamide?

The IUPAC name of 4-amino-1-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-(6-methoxy-3-pyridinyl)piperidine-4-carboxamide (CID 155296195) is 4-amino-1-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-(6-methoxy-3-pyridinyl)piperidine-4-carboxamide.

What is the SMILES notation for 4-amino-1-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-(6-methoxy-3-pyridinyl)piperidine-4-carboxamide?

The canonical SMILES for 4-amino-1-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-(6-methoxy-3-pyridinyl)piperidine-4-carboxamide is COc1ccc(NC(=O)C2(N)CCN(c3ccc(-c4cc(OCC(C)(C)O)cn5ncc(C#N)c45)cn3)CC2)cn1.

What is the InChIKey of 4-amino-1-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-(6-methoxy-3-pyridinyl)piperidine-4-carboxamide?

The InChIKey is IIDSVUVFNQQQIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N8O4/c1-28(2,39)18-41-22-12-23(26-20(13-30)15-34-37(26)17-22)19-4-6-24(32-14-19)36-10-8-29(31,9-11-36)27(38)35-21-5-7-25(40-3)33-16-21/h4-7,12,14-17,39H,8-11,18,31H2,1-3H3,(H,35,38).

What are the key properties of 4-amino-1-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-(6-methoxy-3-pyridinyl)piperidine-4-carboxamide?

4-amino-1-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-(6-methoxy-3-pyridinyl)piperidine-4-carboxamide has a molecular weight of 556.63 g/mol, XLogP of 2.76, 8 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-1-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-(6-methoxy-3-pyridinyl)piperidine-4-carboxamide is sourced from PubChem (CID 155296195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).