4-[6-[4-[(2S)-2-hydroxy-3-phenylpropanoyl]piperazin-1-yl]-3-pyridinyl]-6-(5-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile

C30H28N8O2 — CID 135186572

About 4-[6-[4-[(2S)-2-hydroxy-3-phenylpropanoyl]piperazin-1-yl]-3-pyridinyl]-6-(5-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile

4-[6-[4-[(2S)-2-hydroxy-3-phenylpropanoyl]piperazin-1-yl]-3-pyridinyl]-6-(5-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 135186572) has the molecular formula C30H28N8O2 and a molecular weight of 532.61 g/mol. Its IUPAC name is 4-[6-[4-[(2S)-2-hydroxy-3-phenylpropanoyl]piperazin-1-yl]-3-pyridinyl]-6-(5-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 4-[6-[4-[(2S)-2-hydroxy-3-phenylpropanoyl]piperazin-1-yl]-3-pyridinyl]-6-(5-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
• PubChem CID: 135186572
• Molecular Formula: C30H28N8O2
• Molecular Weight: 532.61 g/mol
• Exact Mass: 532.23
• IUPAC Name: 4-[6-[4-[(2S)-2-hydroxy-3-phenylpropanoyl]piperazin-1-yl]-3-pyridinyl]-6-(5-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
• SMILES: Cc1[nH]ncc1-c1cc(-c2ccc(N3CCN(C(=O)[C@@H](O)Cc4ccccc4)CC3)nc2)c2c(C#N)cnn2c1
• InChI: InChI=1S/C30H28N8O2/c1-20-26(18-33-35-20)23-14-25(29-24(15-31)17-34-38(29)19-23)22-7-8-28(32-16-22)36-9-11-37(12-10-36)30(40)27(39)13-21-5-3-2-4-6-21/h2-8,14,16-19,27,39H,9-13H2,1H3,(H,33,35)/t27-/m0/s1
• InChIKey: PRYQNFFAVVCNHY-MHZLTWQESA-N
• XLogP: 3.22
• TPSA: 126.44 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	532.61
LogP ≤ 5	3.22
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-[6-[4-[(2S)-2-hydroxy-3-phenylpropanoyl]piperazin-1-yl]-3-pyridinyl]-6-(5-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?

The IUPAC name of 4-[6-[4-[(2S)-2-hydroxy-3-phenylpropanoyl]piperazin-1-yl]-3-pyridinyl]-6-(5-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 135186572) is 4-[6-[4-[(2S)-2-hydroxy-3-phenylpropanoyl]piperazin-1-yl]-3-pyridinyl]-6-(5-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile.

What is the SMILES notation for 4-[6-[4-[(2S)-2-hydroxy-3-phenylpropanoyl]piperazin-1-yl]-3-pyridinyl]-6-(5-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?

The canonical SMILES for 4-[6-[4-[(2S)-2-hydroxy-3-phenylpropanoyl]piperazin-1-yl]-3-pyridinyl]-6-(5-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile is Cc1[nH]ncc1-c1cc(-c2ccc(N3CCN(C(=O)[C@@H](O)Cc4ccccc4)CC3)nc2)c2c(C#N)cnn2c1.

What is the InChIKey of 4-[6-[4-[(2S)-2-hydroxy-3-phenylpropanoyl]piperazin-1-yl]-3-pyridinyl]-6-(5-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?

The InChIKey is PRYQNFFAVVCNHY-MHZLTWQESA-N. The full InChI is InChI=1S/C30H28N8O2/c1-20-26(18-33-35-20)23-14-25(29-24(15-31)17-34-38(29)19-23)22-7-8-28(32-16-22)36-9-11-37(12-10-36)30(40)27(39)13-21-5-3-2-4-6-21/h2-8,14,16-19,27,39H,9-13H2,1H3,(H,33,35)/t27-/m0/s1.

What are the key properties of 4-[6-[4-[(2S)-2-hydroxy-3-phenylpropanoyl]piperazin-1-yl]-3-pyridinyl]-6-(5-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?

4-[6-[4-[(2S)-2-hydroxy-3-phenylpropanoyl]piperazin-1-yl]-3-pyridinyl]-6-(5-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 532.61 g/mol, XLogP of 3.22, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[6-[4-[(2S)-2-hydroxy-3-phenylpropanoyl]piperazin-1-yl]-3-pyridinyl]-6-(5-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 135186572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).