6-(1-methylpyrazol-4-yl)-4-[6-(1-prop-2-ynoylpiperidin-4-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

C25H21N7O — CID 146660411

About 6-(1-methylpyrazol-4-yl)-4-[6-(1-prop-2-ynoylpiperidin-4-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

6-(1-methylpyrazol-4-yl)-4-[6-(1-prop-2-ynoylpiperidin-4-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 146660411) has the molecular formula C25H21N7O and a molecular weight of 435.49 g/mol. Its IUPAC name is 6-(1-methylpyrazol-4-yl)-4-[6-(1-prop-2-ynoylpiperidin-4-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 6-(1-methylpyrazol-4-yl)-4-[6-(1-prop-2-ynoylpiperidin-4-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
• PubChem CID: 146660411
• Molecular Formula: C25H21N7O
• Molecular Weight: 435.49 g/mol
• Exact Mass: 435.18
• IUPAC Name: 6-(1-methylpyrazol-4-yl)-4-[6-(1-prop-2-ynoylpiperidin-4-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
• SMILES: C#CC(=O)N1CCC(c2ccc(-c3cc(-c4cnn(C)c4)cn4ncc(C#N)c34)cn2)CC1
• InChI: InChI=1S/C25H21N7O/c1-3-24(33)31-8-6-17(7-9-31)23-5-4-18(12-27-23)22-10-19(21-14-28-30(2)15-21)16-32-25(22)20(11-26)13-29-32/h1,4-5,10,12-17H,6-9H2,2H3
• InChIKey: MPZKFMSVSJKFNV-UHFFFAOYSA-N
• XLogP: 3.01
• TPSA: 92.11 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	435.49
LogP ≤ 5	3.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-(1-methylpyrazol-4-yl)-4-[6-(1-prop-2-ynoylpiperidin-4-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The IUPAC name of 6-(1-methylpyrazol-4-yl)-4-[6-(1-prop-2-ynoylpiperidin-4-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 146660411) is 6-(1-methylpyrazol-4-yl)-4-[6-(1-prop-2-ynoylpiperidin-4-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

What is the SMILES notation for 6-(1-methylpyrazol-4-yl)-4-[6-(1-prop-2-ynoylpiperidin-4-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The canonical SMILES for 6-(1-methylpyrazol-4-yl)-4-[6-(1-prop-2-ynoylpiperidin-4-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is C#CC(=O)N1CCC(c2ccc(-c3cc(-c4cnn(C)c4)cn4ncc(C#N)c34)cn2)CC1.

What is the InChIKey of 6-(1-methylpyrazol-4-yl)-4-[6-(1-prop-2-ynoylpiperidin-4-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The InChIKey is MPZKFMSVSJKFNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N7O/c1-3-24(33)31-8-6-17(7-9-31)23-5-4-18(12-27-23)22-10-19(21-14-28-30(2)15-21)16-32-25(22)20(11-26)13-29-32/h1,4-5,10,12-17H,6-9H2,2H3.

What are the key properties of 6-(1-methylpyrazol-4-yl)-4-[6-(1-prop-2-ynoylpiperidin-4-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

6-(1-methylpyrazol-4-yl)-4-[6-(1-prop-2-ynoylpiperidin-4-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 435.49 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(1-methylpyrazol-4-yl)-4-[6-(1-prop-2-ynoylpiperidin-4-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 146660411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).