4-[6-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile

C28H25FN8 — CID 126740207

About 4-[6-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile

4-[6-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 126740207) has the molecular formula C28H25FN8 and a molecular weight of 492.56 g/mol. Its IUPAC name is 4-[6-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 4-[6-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
• PubChem CID: 126740207
• Molecular Formula: C28H25FN8
• Molecular Weight: 492.56 g/mol
• Exact Mass: 492.22
• IUPAC Name: 4-[6-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
• SMILES: Cn1cc(-c2cc(-c3ccc(N4CCN(Cc5cccc(F)c5)CC4)nc3)c3c(C#N)cnn3c2)cn1
• InChI: InChI=1S/C28H25FN8/c1-34-18-24(16-32-34)22-12-26(28-23(13-30)15-33-37(28)19-22)21-5-6-27(31-14-21)36-9-7-35(8-10-36)17-20-3-2-4-25(29)11-20/h2-6,11-12,14-16,18-19H,7-10,17H2,1H3
• InChIKey: SJQPEAXOKHIACW-UHFFFAOYSA-N
• XLogP: 4.13
• TPSA: 78.28 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	492.56
LogP ≤ 5	4.13
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 4-[6-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 126740207) is 4-[6-[4-[(3-fluorophenyl)methyl]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-[(3-fluorophenyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?

The canonical SMILES for 4-[6-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile is Cn1cc(-c2cc(-c3ccc(N4CCN(Cc5cccc(F)c5)CC4)nc3)c3c(C#N)cnn3c2)cn1.

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

The InChIKey is SJQPEAXOKHIACW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25FN8/c1-34-18-24(16-32-34)22-12-26(28-23(13-30)15-33-37(28)19-22)21-5-6-27(31-14-21)36-9-7-35(8-10-36)17-20-3-2-4-25(29)11-20/h2-6,11-12,14-16,18-19H,7-10,17H2,1H3.

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

4-[6-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 492.56 g/mol, XLogP of 4.13, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[6-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 126740207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).