4-[6-[4-(4-methoxybut-2-ynylamino)piperidin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile

C27H28N8O — CID 146660352

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

4-[6-[4-(4-methoxybut-2-ynylamino)piperidin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 146660352) has the molecular formula C27H28N8O and a molecular weight of 480.58 g/mol. Its IUPAC name is 4-[6-[4-(4-methoxybut-2-ynylamino)piperidin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 4-[6-[4-(4-methoxybut-2-ynylamino)piperidin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
• PubChem CID: 146660352
• Molecular Formula: C27H28N8O
• Molecular Weight: 480.58 g/mol
• Exact Mass: 480.24
• IUPAC Name: 4-[6-[4-(4-methoxybut-2-ynylamino)piperidin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
• SMILES: COCC#CCNC1CCN(c2ccc(-c3cc(-c4cnn(C)c4)cn4ncc(C#N)c34)cn2)CC1
• InChI: InChI=1S/C27H28N8O/c1-33-18-23(17-31-33)21-13-25(27-22(14-28)16-32-35(27)19-21)20-5-6-26(30-15-20)34-10-7-24(8-11-34)29-9-3-4-12-36-2/h5-6,13,15-19,24,29H,7-12H2,1-2H3
• InChIKey: IHAFMUXRDFDQBO-UHFFFAOYSA-N
• XLogP: 2.88
• TPSA: 96.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	480.58
LogP ≤ 5	2.88
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 4-[6-[4-(4-methoxybut-2-ynylamino)piperidin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 146660352) is 4-[6-[4-(4-methoxybut-2-ynylamino)piperidin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile.

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

The canonical SMILES for 4-[6-[4-(4-methoxybut-2-ynylamino)piperidin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile is COCC#CCNC1CCN(c2ccc(-c3cc(-c4cnn(C)c4)cn4ncc(C#N)c34)cn2)CC1.

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

The InChIKey is IHAFMUXRDFDQBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N8O/c1-33-18-23(17-31-33)21-13-25(27-22(14-28)16-32-35(27)19-21)20-5-6-26(30-15-20)34-10-7-24(8-11-34)29-9-3-4-12-36-2/h5-6,13,15-19,24,29H,7-12H2,1-2H3.

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

4-[6-[4-(4-methoxybut-2-ynylamino)piperidin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 480.58 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[6-[4-(4-methoxybut-2-ynylamino)piperidin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 146660352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).