4-[6-[4-(3-cyclopropylprop-2-ynoyl)piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-(4,4-dimethylpent-2-ynoyl)piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-methylpyrazol-4-yl)-4-[6-[4-(4,4,4-trifluorobut-2-ynoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

C80H71F3N24O3 — CID 165066934

About 4-[6-[4-(3-cyclopropylprop-2-ynoyl)piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-(4,4-dimethylpent-2-ynoyl)piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-methylpyrazol-4-yl)-4-[6-[4-(4,4,4-trifluorobut-2-ynoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

4-[6-[4-(3-cyclopropylprop-2-ynoyl)piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-(4,4-dimethylpent-2-ynoyl)piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-methylpyrazol-4-yl)-4-[6-[4-(4,4,4-trifluorobut-2-ynoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 165066934) has the molecular formula C80H71F3N24O3 and a molecular weight of 1473.61 g/mol. Its IUPAC name is 4-[6-[4-(3-cyclopropylprop-2-ynoyl)piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-(4,4-dimethylpent-2-ynoyl)piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-methylpyrazol-4-yl)-4-[6-[4-(4,4,4-trifluorobut-2-ynoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 4-[6-[4-(3-cyclopropylprop-2-ynoyl)piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-(4,4-dimethylpent-2-ynoyl)piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-methylpyrazol-4-yl)-4-[6-[4-(4,4,4-trifluorobut-2-ynoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
• PubChem CID: 165066934
• Molecular Formula: C80H71F3N24O3
• Molecular Weight: 1473.61 g/mol
• Exact Mass: 1472.61
• IUPAC Name: 4-[6-[4-(3-cyclopropylprop-2-ynoyl)piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-(4,4-dimethylpent-2-ynoyl)piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-methylpyrazol-4-yl)-4-[6-[4-(4,4,4-trifluorobut-2-ynoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
• SMILES: Cn1cc(-c2cc(-c3ccc(N4CCN(C(=O)C#CC(C)(C)C)CC4)nc3)c3c(C#N)cnn3c2)cn1.Cn1cc(-c2cc(-c3ccc(N4CCN(C(=O)C#CC(F)(F)F)CC4)nc3)c3c(C#N)cnn3c2)cn1.Cn1cc(-c2cc(-c3ccc(N4CCN(C(=O)C#CC5CC5)CC4)nc3)c3c(C#N)cnn3c2)cn1
• InChI: InChI=1S/C28H28N8O.C27H24N8O.C25H19F3N8O/c1-28(2,3)8-7-26(37)35-11-9-34(10-12-35)25-6-5-20(15-30-25)24-13-21(23-17-31-33(4)18-23)19-36-27(24)22(14-29)16-32-36;1-32-17-23(16-30-32)21-12-24(27-22(13-28)15-31-35(27)18-21)20-5-6-25(29-14-20)33-8-10-34(11-9-33)26(36)7-4-19-2-3-19;1-33-15-20(14-31-33)18-10-21(24-19(11-29)13-32-36(24)16-18)17-2-3-22(30-12-17)34-6-8-35(9-7-34)23(37)4-5-25(26,27)28/h5-6,13,15-19H,9-12H2,1-4H3;5-6,12,14-19H,2-3,8-11H2,1H3;2-3,10,12-16H,6-9H2,1H3
• InChIKey: SCUNZVFYDNIQLT-UHFFFAOYSA-N
• XLogP: 8.98
• TPSA: 286.05 Ų
• H-Bond Acceptors: 24
• Rotatable Bonds: 9
• Heavy Atoms: 110
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1473.61
LogP ≤ 5	8.98
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[6-[4-(3-cyclopropylprop-2-ynoyl)piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-(4,4-dimethylpent-2-ynoyl)piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-methylpyrazol-4-yl)-4-[6-[4-(4,4,4-trifluorobut-2-ynoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The IUPAC name of 4-[6-[4-(3-cyclopropylprop-2-ynoyl)piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-(4,4-dimethylpent-2-ynoyl)piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-methylpyrazol-4-yl)-4-[6-[4-(4,4,4-trifluorobut-2-ynoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 165066934) is 4-[6-[4-(3-cyclopropylprop-2-ynoyl)piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-(4,4-dimethylpent-2-ynoyl)piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-methylpyrazol-4-yl)-4-[6-[4-(4,4,4-trifluorobut-2-ynoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

What is the SMILES notation for 4-[6-[4-(3-cyclopropylprop-2-ynoyl)piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-(4,4-dimethylpent-2-ynoyl)piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-methylpyrazol-4-yl)-4-[6-[4-(4,4,4-trifluorobut-2-ynoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The canonical SMILES for 4-[6-[4-(3-cyclopropylprop-2-ynoyl)piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-(4,4-dimethylpent-2-ynoyl)piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-methylpyrazol-4-yl)-4-[6-[4-(4,4,4-trifluorobut-2-ynoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is Cn1cc(-c2cc(-c3ccc(N4CCN(C(=O)C#CC(C)(C)C)CC4)nc3)c3c(C#N)cnn3c2)cn1.Cn1cc(-c2cc(-c3ccc(N4CCN(C(=O)C#CC(F)(F)F)CC4)nc3)c3c(C#N)cnn3c2)cn1.Cn1cc(-c2cc(-c3ccc(N4CCN(C(=O)C#CC5CC5)CC4)nc3)c3c(C#N)cnn3c2)cn1.

What is the InChIKey of 4-[6-[4-(3-cyclopropylprop-2-ynoyl)piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-(4,4-dimethylpent-2-ynoyl)piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-methylpyrazol-4-yl)-4-[6-[4-(4,4,4-trifluorobut-2-ynoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The InChIKey is SCUNZVFYDNIQLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N8O.C27H24N8O.C25H19F3N8O/c1-28(2,3)8-7-26(37)35-11-9-34(10-12-35)25-6-5-20(15-30-25)24-13-21(23-17-31-33(4)18-23)19-36-27(24)22(14-29)16-32-36;1-32-17-23(16-30-32)21-12-24(27-22(13-28)15-31-35(27)18-21)20-5-6-25(29-14-20)33-8-10-34(11-9-33)26(36)7-4-19-2-3-19;1-33-15-20(14-31-33)18-10-21(24-19(11-29)13-32-36(24)16-18)17-2-3-22(30-12-17)34-6-8-35(9-7-34)23(37)4-5-25(26,27)28/h5-6,13,15-19H,9-12H2,1-4H3;5-6,12,14-19H,2-3,8-11H2,1H3;2-3,10,12-16H,6-9H2,1H3.

What are the key properties of 4-[6-[4-(3-cyclopropylprop-2-ynoyl)piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-(4,4-dimethylpent-2-ynoyl)piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-methylpyrazol-4-yl)-4-[6-[4-(4,4,4-trifluorobut-2-ynoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

4-[6-[4-(3-cyclopropylprop-2-ynoyl)piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-(4,4-dimethylpent-2-ynoyl)piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-methylpyrazol-4-yl)-4-[6-[4-(4,4,4-trifluorobut-2-ynoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 1473.61 g/mol, XLogP of 8.98, 9 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[6-[4-(3-cyclopropylprop-2-ynoyl)piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-(4,4-dimethylpent-2-ynoyl)piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-methylpyrazol-4-yl)-4-[6-[4-(4,4,4-trifluorobut-2-ynoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 165066934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).