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

C29H34N8O2 — CID 126740198

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

1-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-(2-methoxy-3-methylbutyl)piperidine-4-carboxamide (PubChem CID 126740198) has the molecular formula C29H34N8O2 and a molecular weight of 526.65 g/mol. Its IUPAC name is 1-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-(2-methoxy-3-methylbutyl)piperidine-4-carboxamide.

Molecular Properties

• Compound Name: 1-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-(2-methoxy-3-methylbutyl)piperidine-4-carboxamide
• PubChem CID: 126740198
• Molecular Formula: C29H34N8O2
• Molecular Weight: 526.65 g/mol
• Exact Mass: 526.28
• IUPAC Name: 1-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-(2-methoxy-3-methylbutyl)piperidine-4-carboxamide
• SMILES: COC(CNC(=O)C1CCN(c2ccc(-c3cc(-c4cnn(C)c4)cn4ncc(C#N)c34)cn2)CC1)C(C)C
• InChI: InChI=1S/C29H34N8O2/c1-19(2)26(39-4)16-32-29(38)20-7-9-36(10-8-20)27-6-5-21(13-31-27)25-11-22(24-15-33-35(3)17-24)18-37-28(25)23(12-30)14-34-37/h5-6,11,13-15,17-20,26H,7-10,16H2,1-4H3,(H,32,38)
• InChIKey: SOZJWNPIVQSFQC-UHFFFAOYSA-N
• XLogP: 3.67
• TPSA: 113.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	526.65
LogP ≤ 5	3.67
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of 1-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-(2-methoxy-3-methylbutyl)piperidine-4-carboxamide (CID 126740198) is 1-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-(2-methoxy-3-methylbutyl)piperidine-4-carboxamide.

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

The canonical SMILES for 1-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-(2-methoxy-3-methylbutyl)piperidine-4-carboxamide is COC(CNC(=O)C1CCN(c2ccc(-c3cc(-c4cnn(C)c4)cn4ncc(C#N)c34)cn2)CC1)C(C)C.

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

The InChIKey is SOZJWNPIVQSFQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N8O2/c1-19(2)26(39-4)16-32-29(38)20-7-9-36(10-8-20)27-6-5-21(13-31-27)25-11-22(24-15-33-35(3)17-24)18-37-28(25)23(12-30)14-34-37/h5-6,11,13-15,17-20,26H,7-10,16H2,1-4H3,(H,32,38).

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

1-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-(2-methoxy-3-methylbutyl)piperidine-4-carboxamide has a molecular weight of 526.65 g/mol, XLogP of 3.67, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-(2-methoxy-3-methylbutyl)piperidine-4-carboxamide is sourced from PubChem (CID 126740198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).