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

C32H44N8O2 — CID 134436098

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

1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-[(4-ethylpiperazin-1-yl)methyl]-N-(2-methylpropyl)piperidine-4-carboxamide (PubChem CID 134436098) has the molecular formula C32H44N8O2 and a molecular weight of 572.76 g/mol. Its IUPAC name is 1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-[(4-ethylpiperazin-1-yl)methyl]-N-(2-methylpropyl)piperidine-4-carboxamide.

Molecular Properties

• Compound Name: 1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-[(4-ethylpiperazin-1-yl)methyl]-N-(2-methylpropyl)piperidine-4-carboxamide
• PubChem CID: 134436098
• Molecular Formula: C32H44N8O2
• Molecular Weight: 572.76 g/mol
• Exact Mass: 572.36
• IUPAC Name: 1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-[(4-ethylpiperazin-1-yl)methyl]-N-(2-methylpropyl)piperidine-4-carboxamide
• SMILES: CCOc1cc(-c2ccc(N3CCC(CN4CCN(CC)CC4)(C(=O)NCC(C)C)CC3)nc2)c2c(C#N)cnn2c1
• InChI: InChI=1S/C32H44N8O2/c1-5-37-13-15-38(16-14-37)23-32(31(41)35-19-24(3)4)9-11-39(12-10-32)29-8-7-25(20-34-29)28-17-27(42-6-2)22-40-30(28)26(18-33)21-36-40/h7-8,17,20-22,24H,5-6,9-16,19,23H2,1-4H3,(H,35,41)
• InChIKey: BWOWVESWBWLNJK-UHFFFAOYSA-N
• XLogP: 3.66
• 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	572.76
LogP ≤ 5	3.66
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-[(4-ethylpiperazin-1-yl)methyl]-N-(2-methylpropyl)piperidine-4-carboxamide?

The IUPAC name of 1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-[(4-ethylpiperazin-1-yl)methyl]-N-(2-methylpropyl)piperidine-4-carboxamide (CID 134436098) is 1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-[(4-ethylpiperazin-1-yl)methyl]-N-(2-methylpropyl)piperidine-4-carboxamide.

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

The canonical SMILES for 1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-[(4-ethylpiperazin-1-yl)methyl]-N-(2-methylpropyl)piperidine-4-carboxamide is CCOc1cc(-c2ccc(N3CCC(CN4CCN(CC)CC4)(C(=O)NCC(C)C)CC3)nc2)c2c(C#N)cnn2c1.

What is the InChIKey of 1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-[(4-ethylpiperazin-1-yl)methyl]-N-(2-methylpropyl)piperidine-4-carboxamide?

The InChIKey is BWOWVESWBWLNJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H44N8O2/c1-5-37-13-15-38(16-14-37)23-32(31(41)35-19-24(3)4)9-11-39(12-10-32)29-8-7-25(20-34-29)28-17-27(42-6-2)22-40-30(28)26(18-33)21-36-40/h7-8,17,20-22,24H,5-6,9-16,19,23H2,1-4H3,(H,35,41).

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

1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-[(4-ethylpiperazin-1-yl)methyl]-N-(2-methylpropyl)piperidine-4-carboxamide has a molecular weight of 572.76 g/mol, XLogP of 3.66, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-[(4-ethylpiperazin-1-yl)methyl]-N-(2-methylpropyl)piperidine-4-carboxamide is sourced from PubChem (CID 134436098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).