N-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-methyl-6-pyrrolidin-1-ylpyridine-3-carboxamide

C28H29N7O3 — CID 166807078

About N-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-methyl-6-pyrrolidin-1-ylpyridine-3-carboxamide

N-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-methyl-6-pyrrolidin-1-ylpyridine-3-carboxamide (PubChem CID 166807078) has the molecular formula C28H29N7O3 and a molecular weight of 511.59 g/mol. Its IUPAC name is N-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-methyl-6-pyrrolidin-1-ylpyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-methyl-6-pyrrolidin-1-ylpyridine-3-carboxamide
• PubChem CID: 166807078
• Molecular Formula: C28H29N7O3
• Molecular Weight: 511.59 g/mol
• Exact Mass: 511.23
• IUPAC Name: N-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-methyl-6-pyrrolidin-1-ylpyridine-3-carboxamide
• SMILES: CN(C(=O)c1ccc(N2CCCC2)nc1)c1ccc(-c2cc(OCC(C)(C)O)cn3ncc(C#N)c23)cn1
• InChI: InChI=1S/C28H29N7O3/c1-28(2,37)18-38-22-12-23(26-21(13-29)16-32-35(26)17-22)19-6-8-24(30-14-19)33(3)27(36)20-7-9-25(31-15-20)34-10-4-5-11-34/h6-9,12,14-17,37H,4-5,10-11,18H2,1-3H3
• InChIKey: SCOBVIUWISGZOY-UHFFFAOYSA-N
• XLogP: 3.69
• TPSA: 119.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	511.59
LogP ≤ 5	3.69
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of N-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-methyl-6-pyrrolidin-1-ylpyridine-3-carboxamide (CID 166807078) is N-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-methyl-6-pyrrolidin-1-ylpyridine-3-carboxamide.

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

The canonical SMILES for N-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-methyl-6-pyrrolidin-1-ylpyridine-3-carboxamide is CN(C(=O)c1ccc(N2CCCC2)nc1)c1ccc(-c2cc(OCC(C)(C)O)cn3ncc(C#N)c23)cn1.

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

The InChIKey is SCOBVIUWISGZOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N7O3/c1-28(2,37)18-38-22-12-23(26-21(13-29)16-32-35(26)17-22)19-6-8-24(30-14-19)33(3)27(36)20-7-9-25(31-15-20)34-10-4-5-11-34/h6-9,12,14-17,37H,4-5,10-11,18H2,1-3H3.

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

N-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-methyl-6-pyrrolidin-1-ylpyridine-3-carboxamide has a molecular weight of 511.59 g/mol, XLogP of 3.69, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-methyl-6-pyrrolidin-1-ylpyridine-3-carboxamide is sourced from PubChem (CID 166807078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).