4-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-cyclopropyl-N-methylpiperazine-1-carboxamide;2,2,2-trifluoroacetaldehyde

C28H28F3N9O2 — CID 157078083

About 4-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-cyclopropyl-N-methylpiperazine-1-carboxamide;2,2,2-trifluoroacetaldehyde

4-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-cyclopropyl-N-methylpiperazine-1-carboxamide;2,2,2-trifluoroacetaldehyde (PubChem CID 157078083) has the molecular formula C28H28F3N9O2 and a molecular weight of 579.59 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-cyclopropyl-N-methylpiperazine-1-carboxamide;2,2,2-trifluoroacetaldehyde.

Molecular Properties

• Compound Name: 4-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-cyclopropyl-N-methylpiperazine-1-carboxamide;2,2,2-trifluoroacetaldehyde
• PubChem CID: 157078083
• Molecular Formula: C28H28F3N9O2
• Molecular Weight: 579.59 g/mol
• Exact Mass: 579.23
• IUPAC Name: 4-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-cyclopropyl-N-methylpiperazine-1-carboxamide;2,2,2-trifluoroacetaldehyde
• SMILES: CN(C(=O)N1CCN(c2ccc(-c3cc(-c4cnn(C)c4)cn4ncc(C#N)c34)cn2)CC1)C1CC1.O=CC(F)(F)F
• InChI: InChI=1S/C26H27N9O.C2HF3O/c1-31-16-21(15-29-31)19-11-23(25-20(12-27)14-30-35(25)17-19)18-3-6-24(28-13-18)33-7-9-34(10-8-33)26(36)32(2)22-4-5-22;3-2(4,5)1-6/h3,6,11,13-17,22H,4-5,7-10H2,1-2H3;1H
• InChIKey: ADFDDCRCQSZRQH-UHFFFAOYSA-N
• XLogP: 3.75
• TPSA: 115.66 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 4
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	579.59
LogP ≤ 5	3.75
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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-cyclopropyl-N-methylpiperazine-1-carboxamide;2,2,2-trifluoroacetaldehyde?

The IUPAC name of 4-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-cyclopropyl-N-methylpiperazine-1-carboxamide;2,2,2-trifluoroacetaldehyde (CID 157078083) is 4-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-cyclopropyl-N-methylpiperazine-1-carboxamide;2,2,2-trifluoroacetaldehyde.

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-cyclopropyl-N-methylpiperazine-1-carboxamide;2,2,2-trifluoroacetaldehyde?

The canonical SMILES for 4-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-cyclopropyl-N-methylpiperazine-1-carboxamide;2,2,2-trifluoroacetaldehyde is CN(C(=O)N1CCN(c2ccc(-c3cc(-c4cnn(C)c4)cn4ncc(C#N)c34)cn2)CC1)C1CC1.O=CC(F)(F)F.

What is the InChIKey of 4-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-cyclopropyl-N-methylpiperazine-1-carboxamide;2,2,2-trifluoroacetaldehyde?

The InChIKey is ADFDDCRCQSZRQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N9O.C2HF3O/c1-31-16-21(15-29-31)19-11-23(25-20(12-27)14-30-35(25)17-19)18-3-6-24(28-13-18)33-7-9-34(10-8-33)26(36)32(2)22-4-5-22;3-2(4,5)1-6/h3,6,11,13-17,22H,4-5,7-10H2,1-2H3;1H.

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-cyclopropyl-N-methylpiperazine-1-carboxamide;2,2,2-trifluoroacetaldehyde?

4-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-cyclopropyl-N-methylpiperazine-1-carboxamide;2,2,2-trifluoroacetaldehyde has a molecular weight of 579.59 g/mol, XLogP of 3.75, 4 rotatable bonds, 0 hydrogen bond donors, and 9 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-cyclopropyl-N-methylpiperazine-1-carboxamide;2,2,2-trifluoroacetaldehyde is sourced from PubChem (CID 157078083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).