N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-[(4-ethylpiperazin-1-yl)methyl]piperidin-4-yl]-2-cyclopropylacetamide

C32H42N8O2 — CID 134436139

About N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-[(4-ethylpiperazin-1-yl)methyl]piperidin-4-yl]-2-cyclopropylacetamide

N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-[(4-ethylpiperazin-1-yl)methyl]piperidin-4-yl]-2-cyclopropylacetamide (PubChem CID 134436139) has the molecular formula C32H42N8O2 and a molecular weight of 570.74 g/mol. Its IUPAC name is N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-[(4-ethylpiperazin-1-yl)methyl]piperidin-4-yl]-2-cyclopropylacetamide.

Molecular Properties

• Compound Name: N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-[(4-ethylpiperazin-1-yl)methyl]piperidin-4-yl]-2-cyclopropylacetamide
• PubChem CID: 134436139
• Molecular Formula: C32H42N8O2
• Molecular Weight: 570.74 g/mol
• Exact Mass: 570.34
• IUPAC Name: N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-[(4-ethylpiperazin-1-yl)methyl]piperidin-4-yl]-2-cyclopropylacetamide
• SMILES: CCOc1cc(-c2ccc(N3CCC(CN4CCN(CC)CC4)(NC(=O)CC4CC4)CC3)nc2)c2c(C#N)cnn2c1
• InChI: InChI=1S/C32H42N8O2/c1-3-37-13-15-38(16-14-37)23-32(36-30(41)17-24-5-6-24)9-11-39(12-10-32)29-8-7-25(20-34-29)28-18-27(42-4-2)22-40-31(28)26(19-33)21-35-40/h7-8,18,20-22,24H,3-6,9-17,23H2,1-2H3,(H,36,41)
• InChIKey: XJAHDLFAEGETHB-UHFFFAOYSA-N
• XLogP: 3.56
• TPSA: 102.03 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	570.74
LogP ≤ 5	3.56
H-Bond Donors ≤ 5	1
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-[(4-ethylpiperazin-1-yl)methyl]piperidin-4-yl]-2-cyclopropylacetamide?

The IUPAC name of N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-[(4-ethylpiperazin-1-yl)methyl]piperidin-4-yl]-2-cyclopropylacetamide (CID 134436139) is N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-[(4-ethylpiperazin-1-yl)methyl]piperidin-4-yl]-2-cyclopropylacetamide.

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

The canonical SMILES for N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-[(4-ethylpiperazin-1-yl)methyl]piperidin-4-yl]-2-cyclopropylacetamide is CCOc1cc(-c2ccc(N3CCC(CN4CCN(CC)CC4)(NC(=O)CC4CC4)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-[(4-ethylpiperazin-1-yl)methyl]piperidin-4-yl]-2-cyclopropylacetamide?

The InChIKey is XJAHDLFAEGETHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H42N8O2/c1-3-37-13-15-38(16-14-37)23-32(36-30(41)17-24-5-6-24)9-11-39(12-10-32)29-8-7-25(20-34-29)28-18-27(42-4-2)22-40-31(28)26(19-33)21-35-40/h7-8,18,20-22,24H,3-6,9-17,23H2,1-2H3,(H,36,41).

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

N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-[(4-ethylpiperazin-1-yl)methyl]piperidin-4-yl]-2-cyclopropylacetamide has a molecular weight of 570.74 g/mol, XLogP of 3.56, 10 rotatable bonds, 1 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-[(4-ethylpiperazin-1-yl)methyl]piperidin-4-yl]-2-cyclopropylacetamide is sourced from PubChem (CID 134436139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).