N-[1-[5-[6-(azetidin-3-ylmethoxy)-3-cyanopyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]pyridine-2-carboxamide

C29H30N8O2 — CID 134434698

About N-[1-[5-[6-(azetidin-3-ylmethoxy)-3-cyanopyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]pyridine-2-carboxamide

N-[1-[5-[6-(azetidin-3-ylmethoxy)-3-cyanopyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]pyridine-2-carboxamide (PubChem CID 134434698) has the molecular formula C29H30N8O2 and a molecular weight of 522.61 g/mol. Its IUPAC name is N-[1-[5-[6-(azetidin-3-ylmethoxy)-3-cyanopyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[1-[5-[6-(azetidin-3-ylmethoxy)-3-cyanopyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]pyridine-2-carboxamide
• PubChem CID: 134434698
• Molecular Formula: C29H30N8O2
• Molecular Weight: 522.61 g/mol
• Exact Mass: 522.25
• IUPAC Name: N-[1-[5-[6-(azetidin-3-ylmethoxy)-3-cyanopyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]pyridine-2-carboxamide
• SMILES: CC1(NC(=O)c2ccccn2)CCN(c2ccc(-c3cc(OCC4CNC4)cn4ncc(C#N)c34)cn2)CC1
• InChI: InChI=1S/C29H30N8O2/c1-29(35-28(38)25-4-2-3-9-32-25)7-10-36(11-8-29)26-6-5-21(16-33-26)24-12-23(39-19-20-14-31-15-20)18-37-27(24)22(13-30)17-34-37/h2-6,9,12,16-18,20,31H,7-8,10-11,14-15,19H2,1H3,(H,35,38)
• InChIKey: UBAFBDUQQZMHIR-UHFFFAOYSA-N
• XLogP: 3.05
• TPSA: 120.47 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	522.61
LogP ≤ 5	3.05
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[1-[5-[6-(azetidin-3-ylmethoxy)-3-cyanopyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]pyridine-2-carboxamide?

The IUPAC name of N-[1-[5-[6-(azetidin-3-ylmethoxy)-3-cyanopyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]pyridine-2-carboxamide (CID 134434698) is N-[1-[5-[6-(azetidin-3-ylmethoxy)-3-cyanopyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]pyridine-2-carboxamide.

What is the SMILES notation for N-[1-[5-[6-(azetidin-3-ylmethoxy)-3-cyanopyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]pyridine-2-carboxamide?

The canonical SMILES for N-[1-[5-[6-(azetidin-3-ylmethoxy)-3-cyanopyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]pyridine-2-carboxamide is CC1(NC(=O)c2ccccn2)CCN(c2ccc(-c3cc(OCC4CNC4)cn4ncc(C#N)c34)cn2)CC1.

What is the InChIKey of N-[1-[5-[6-(azetidin-3-ylmethoxy)-3-cyanopyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]pyridine-2-carboxamide?

The InChIKey is UBAFBDUQQZMHIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N8O2/c1-29(35-28(38)25-4-2-3-9-32-25)7-10-36(11-8-29)26-6-5-21(16-33-26)24-12-23(39-19-20-14-31-15-20)18-37-27(24)22(13-30)17-34-37/h2-6,9,12,16-18,20,31H,7-8,10-11,14-15,19H2,1H3,(H,35,38).

What are the key properties of N-[1-[5-[6-(azetidin-3-ylmethoxy)-3-cyanopyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]pyridine-2-carboxamide?

N-[1-[5-[6-(azetidin-3-ylmethoxy)-3-cyanopyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]pyridine-2-carboxamide has a molecular weight of 522.61 g/mol, XLogP of 3.05, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[5-[6-(azetidin-3-ylmethoxy)-3-cyanopyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]pyridine-2-carboxamide is sourced from PubChem (CID 134434698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).