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

C33H46N8O2 — CID 134435504

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]-2,3-dimethylbutanamide

N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-[(4-ethylpiperazin-1-yl)methyl]piperidin-4-yl]-2,3-dimethylbutanamide (PubChem CID 134435504) has the molecular formula C33H46N8O2 and a molecular weight of 586.79 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]-2,3-dimethylbutanamide.

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]-2,3-dimethylbutanamide
• PubChem CID: 134435504
• Molecular Formula: C33H46N8O2
• Molecular Weight: 586.79 g/mol
• Exact Mass: 586.37
• 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]-2,3-dimethylbutanamide
• SMILES: CCOc1cc(-c2ccc(N3CCC(CN4CCN(CC)CC4)(NC(=O)C(C)C(C)C)CC3)nc2)c2c(C#N)cnn2c1
• InChI: InChI=1S/C33H46N8O2/c1-6-38-14-16-39(17-15-38)23-33(37-32(42)25(5)24(3)4)10-12-40(13-11-33)30-9-8-26(20-35-30)29-18-28(43-7-2)22-41-31(29)27(19-34)21-36-41/h8-9,18,20-22,24-25H,6-7,10-17,23H2,1-5H3,(H,37,42)
• InChIKey: ZKXCOPBHODBJPZ-UHFFFAOYSA-N
• XLogP: 4.05
• TPSA: 102.03 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	586.79
LogP ≤ 5	4.05
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]-2,3-dimethylbutanamide?

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]-2,3-dimethylbutanamide (CID 134435504) 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]-2,3-dimethylbutanamide.

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]-2,3-dimethylbutanamide?

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]-2,3-dimethylbutanamide is CCOc1cc(-c2ccc(N3CCC(CN4CCN(CC)CC4)(NC(=O)C(C)C(C)C)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]-2,3-dimethylbutanamide?

The InChIKey is ZKXCOPBHODBJPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H46N8O2/c1-6-38-14-16-39(17-15-38)23-33(37-32(42)25(5)24(3)4)10-12-40(13-11-33)30-9-8-26(20-35-30)29-18-28(43-7-2)22-41-31(29)27(19-34)21-36-41/h8-9,18,20-22,24-25H,6-7,10-17,23H2,1-5H3,(H,37,42).

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]-2,3-dimethylbutanamide?

N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-[(4-ethylpiperazin-1-yl)methyl]piperidin-4-yl]-2,3-dimethylbutanamide has a molecular weight of 586.79 g/mol, XLogP of 4.05, 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]-2,3-dimethylbutanamide is sourced from PubChem (CID 134435504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).