6-(1-methylpyrazol-4-yl)-4-[6-[4-(3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

C31H27F3N8O2 — CID 135177572

About 6-(1-methylpyrazol-4-yl)-4-[6-[4-(3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

6-(1-methylpyrazol-4-yl)-4-[6-[4-(3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 135177572) has the molecular formula C31H27F3N8O2 and a molecular weight of 600.61 g/mol. Its IUPAC name is 6-(1-methylpyrazol-4-yl)-4-[6-[4-(3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 6-(1-methylpyrazol-4-yl)-4-[6-[4-(3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
• PubChem CID: 135177572
• Molecular Formula: C31H27F3N8O2
• Molecular Weight: 600.61 g/mol
• Exact Mass: 600.22
• IUPAC Name: 6-(1-methylpyrazol-4-yl)-4-[6-[4-(3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
• SMILES: COC(C(=O)N1CCN(c2ccc(-c3cc(-c4cnn(C)c4)cn4ncc(C#N)c34)cn2)CC1)(c1ccccc1)C(F)(F)F
• InChI: InChI=1S/C31H27F3N8O2/c1-39-19-24(18-37-39)22-14-26(28-23(15-35)17-38-42(28)20-22)21-8-9-27(36-16-21)40-10-12-41(13-11-40)29(43)30(44-2,31(32,33)34)25-6-4-3-5-7-25/h3-9,14,16-20H,10-13H2,1-2H3
• InChIKey: NFFNTZQUODOHRP-UHFFFAOYSA-N
• XLogP: 4.42
• TPSA: 104.58 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	600.61
LogP ≤ 5	4.42
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of 6-(1-methylpyrazol-4-yl)-4-[6-[4-(3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 135177572) is 6-(1-methylpyrazol-4-yl)-4-[6-[4-(3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

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

The canonical SMILES for 6-(1-methylpyrazol-4-yl)-4-[6-[4-(3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is COC(C(=O)N1CCN(c2ccc(-c3cc(-c4cnn(C)c4)cn4ncc(C#N)c34)cn2)CC1)(c1ccccc1)C(F)(F)F.

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

The InChIKey is NFFNTZQUODOHRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H27F3N8O2/c1-39-19-24(18-37-39)22-14-26(28-23(15-35)17-38-42(28)20-22)21-8-9-27(36-16-21)40-10-12-41(13-11-40)29(43)30(44-2,31(32,33)34)25-6-4-3-5-7-25/h3-9,14,16-20H,10-13H2,1-2H3.

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

6-(1-methylpyrazol-4-yl)-4-[6-[4-(3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 600.61 g/mol, XLogP of 4.42, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(1-methylpyrazol-4-yl)-4-[6-[4-(3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 135177572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).