N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-(piperazin-1-ylmethyl)piperidin-4-yl]cyclopropanecarboxamide

C29H36N8O2 — CID 170771140

About N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-(piperazin-1-ylmethyl)piperidin-4-yl]cyclopropanecarboxamide

N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-(piperazin-1-ylmethyl)piperidin-4-yl]cyclopropanecarboxamide (PubChem CID 170771140) has the molecular formula C29H36N8O2 and a molecular weight of 528.66 g/mol. Its IUPAC name is N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-(piperazin-1-ylmethyl)piperidin-4-yl]cyclopropanecarboxamide.

Molecular Properties

• Compound Name: N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-(piperazin-1-ylmethyl)piperidin-4-yl]cyclopropanecarboxamide
• PubChem CID: 170771140
• Molecular Formula: C29H36N8O2
• Molecular Weight: 528.66 g/mol
• Exact Mass: 528.30
• IUPAC Name: N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-(piperazin-1-ylmethyl)piperidin-4-yl]cyclopropanecarboxamide
• SMILES: CCOc1cc(-c2ccc(N3CCC(CN4CCNCC4)(NC(=O)C4CC4)CC3)nc2)c2c(C#N)cnn2c1
• InChI: InChI=1S/C29H36N8O2/c1-2-39-24-15-25(27-23(16-30)18-33-37(27)19-24)22-5-6-26(32-17-22)36-11-7-29(8-12-36,34-28(38)21-3-4-21)20-35-13-9-31-10-14-35/h5-6,15,17-19,21,31H,2-4,7-14,20H2,1H3,(H,34,38)
• InChIKey: CPKFAPZXQWWLFS-UHFFFAOYSA-N
• XLogP: 2.44
• TPSA: 110.82 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	528.66
LogP ≤ 5	2.44
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-(piperazin-1-ylmethyl)piperidin-4-yl]cyclopropanecarboxamide?

The IUPAC name of N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-(piperazin-1-ylmethyl)piperidin-4-yl]cyclopropanecarboxamide (CID 170771140) is N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-(piperazin-1-ylmethyl)piperidin-4-yl]cyclopropanecarboxamide.

What is the SMILES notation for N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-(piperazin-1-ylmethyl)piperidin-4-yl]cyclopropanecarboxamide?

The canonical SMILES for N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-(piperazin-1-ylmethyl)piperidin-4-yl]cyclopropanecarboxamide is CCOc1cc(-c2ccc(N3CCC(CN4CCNCC4)(NC(=O)C4CC4)CC3)nc2)c2c(C#N)cnn2c1.

What is the InChIKey of N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-(piperazin-1-ylmethyl)piperidin-4-yl]cyclopropanecarboxamide?

The InChIKey is CPKFAPZXQWWLFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36N8O2/c1-2-39-24-15-25(27-23(16-30)18-33-37(27)19-24)22-5-6-26(32-17-22)36-11-7-29(8-12-36,34-28(38)21-3-4-21)20-35-13-9-31-10-14-35/h5-6,15,17-19,21,31H,2-4,7-14,20H2,1H3,(H,34,38).

What are the key properties of N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-(piperazin-1-ylmethyl)piperidin-4-yl]cyclopropanecarboxamide?

N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-(piperazin-1-ylmethyl)piperidin-4-yl]cyclopropanecarboxamide has a molecular weight of 528.66 g/mol, XLogP of 2.44, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-(piperazin-1-ylmethyl)piperidin-4-yl]cyclopropanecarboxamide is sourced from PubChem (CID 170771140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).