4-[6-[4-[6-(5-fluoro-2-pyridinyl)hex-4-ynoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile

C32H28FN9O — CID 146660402

About 4-[6-[4-[6-(5-fluoro-2-pyridinyl)hex-4-ynoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile

4-[6-[4-[6-(5-fluoro-2-pyridinyl)hex-4-ynoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 146660402) has the molecular formula C32H28FN9O and a molecular weight of 573.64 g/mol. Its IUPAC name is 4-[6-[4-[6-(5-fluoro-2-pyridinyl)hex-4-ynoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 4-[6-[4-[6-(5-fluoro-2-pyridinyl)hex-4-ynoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
• PubChem CID: 146660402
• Molecular Formula: C32H28FN9O
• Molecular Weight: 573.64 g/mol
• Exact Mass: 573.24
• IUPAC Name: 4-[6-[4-[6-(5-fluoro-2-pyridinyl)hex-4-ynoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
• SMILES: Cn1cc(-c2cc(-c3ccc(N4CCN(C(=O)CCC#CCc5ccc(F)cn5)CC4)nc3)c3c(C#N)cnn3c2)cn1
• InChI: InChI=1S/C32H28FN9O/c1-39-21-26(19-37-39)24-15-29(32-25(16-34)18-38-42(32)22-24)23-7-10-30(36-17-23)40-11-13-41(14-12-40)31(43)6-4-2-3-5-28-9-8-27(33)20-35-28/h7-10,15,17-22H,4-6,11-14H2,1H3
• InChIKey: WCAHYWWIOZEZBZ-UHFFFAOYSA-N
• XLogP: 3.88
• TPSA: 108.24 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	573.64
LogP ≤ 5	3.88
H-Bond Donors ≤ 5	0
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-[6-(5-fluoro-2-pyridinyl)hex-4-ynoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?

The IUPAC name of 4-[6-[4-[6-(5-fluoro-2-pyridinyl)hex-4-ynoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 146660402) is 4-[6-[4-[6-(5-fluoro-2-pyridinyl)hex-4-ynoyl]piperazin-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-[6-(5-fluoro-2-pyridinyl)hex-4-ynoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?

The canonical SMILES for 4-[6-[4-[6-(5-fluoro-2-pyridinyl)hex-4-ynoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile is Cn1cc(-c2cc(-c3ccc(N4CCN(C(=O)CCC#CCc5ccc(F)cn5)CC4)nc3)c3c(C#N)cnn3c2)cn1.

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

The InChIKey is WCAHYWWIOZEZBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28FN9O/c1-39-21-26(19-37-39)24-15-29(32-25(16-34)18-38-42(32)22-24)23-7-10-30(36-17-23)40-11-13-41(14-12-40)31(43)6-4-2-3-5-28-9-8-27(33)20-35-28/h7-10,15,17-22H,4-6,11-14H2,1H3.

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

4-[6-[4-[6-(5-fluoro-2-pyridinyl)hex-4-ynoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 573.64 g/mol, XLogP of 3.88, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[6-[4-[6-(5-fluoro-2-pyridinyl)hex-4-ynoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 146660402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).