4-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-[(4-prop-1-en-2-ylphenyl)methyl]piperazine-1-carboxamide

C32H31N9O — CID 146661188

About 4-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-[(4-prop-1-en-2-ylphenyl)methyl]piperazine-1-carboxamide

4-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-[(4-prop-1-en-2-ylphenyl)methyl]piperazine-1-carboxamide (PubChem CID 146661188) has the molecular formula C32H31N9O and a molecular weight of 557.66 g/mol. Its IUPAC name is 4-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-[(4-prop-1-en-2-ylphenyl)methyl]piperazine-1-carboxamide.

Molecular Properties

• Compound Name: 4-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-[(4-prop-1-en-2-ylphenyl)methyl]piperazine-1-carboxamide
• PubChem CID: 146661188
• Molecular Formula: C32H31N9O
• Molecular Weight: 557.66 g/mol
• Exact Mass: 557.27
• IUPAC Name: 4-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-[(4-prop-1-en-2-ylphenyl)methyl]piperazine-1-carboxamide
• SMILES: C=C(C)c1ccc(CNC(=O)N2CCN(c3ccc(-c4cc(-c5cnn(C)c5)cn5ncc(C#N)c45)cn3)CC2)cc1
• InChI: InChI=1S/C32H31N9O/c1-22(2)24-6-4-23(5-7-24)16-35-32(42)40-12-10-39(11-13-40)30-9-8-25(17-34-30)29-14-26(28-19-36-38(3)20-28)21-41-31(29)27(15-33)18-37-41/h4-9,14,17-21H,1,10-13,16H2,2-3H3,(H,35,42)
• InChIKey: GJDVLKBTCHYNLT-UHFFFAOYSA-N
• XLogP: 4.73
• TPSA: 107.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	557.66
LogP ≤ 5	4.73
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-[(4-prop-1-en-2-ylphenyl)methyl]piperazine-1-carboxamide?

The IUPAC name of 4-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-[(4-prop-1-en-2-ylphenyl)methyl]piperazine-1-carboxamide (CID 146661188) is 4-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-[(4-prop-1-en-2-ylphenyl)methyl]piperazine-1-carboxamide.

What is the SMILES notation for 4-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-[(4-prop-1-en-2-ylphenyl)methyl]piperazine-1-carboxamide?

The canonical SMILES for 4-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-[(4-prop-1-en-2-ylphenyl)methyl]piperazine-1-carboxamide is C=C(C)c1ccc(CNC(=O)N2CCN(c3ccc(-c4cc(-c5cnn(C)c5)cn5ncc(C#N)c45)cn3)CC2)cc1.

What is the InChIKey of 4-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-[(4-prop-1-en-2-ylphenyl)methyl]piperazine-1-carboxamide?

The InChIKey is GJDVLKBTCHYNLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H31N9O/c1-22(2)24-6-4-23(5-7-24)16-35-32(42)40-12-10-39(11-13-40)30-9-8-25(17-34-30)29-14-26(28-19-36-38(3)20-28)21-41-31(29)27(15-33)18-37-41/h4-9,14,17-21H,1,10-13,16H2,2-3H3,(H,35,42).

What are the key properties of 4-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-[(4-prop-1-en-2-ylphenyl)methyl]piperazine-1-carboxamide?

4-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-[(4-prop-1-en-2-ylphenyl)methyl]piperazine-1-carboxamide has a molecular weight of 557.66 g/mol, XLogP of 4.73, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-[(4-prop-1-en-2-ylphenyl)methyl]piperazine-1-carboxamide is sourced from PubChem (CID 146661188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).