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

C27H32N8O — CID 126740223

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

4-[6-[4-(2-methoxy-3-methylbutyl)piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 126740223) has the molecular formula C27H32N8O and a molecular weight of 484.61 g/mol. Its IUPAC name is 4-[6-[4-(2-methoxy-3-methylbutyl)piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 4-[6-[4-(2-methoxy-3-methylbutyl)piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
• PubChem CID: 126740223
• Molecular Formula: C27H32N8O
• Molecular Weight: 484.61 g/mol
• Exact Mass: 484.27
• IUPAC Name: 4-[6-[4-(2-methoxy-3-methylbutyl)piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
• SMILES: COC(CN1CCN(c2ccc(-c3cc(-c4cnn(C)c4)cn4ncc(C#N)c34)cn2)CC1)C(C)C
• InChI: InChI=1S/C27H32N8O/c1-19(2)25(36-4)18-33-7-9-34(10-8-33)26-6-5-20(13-29-26)24-11-21(23-15-30-32(3)16-23)17-35-27(24)22(12-28)14-31-35/h5-6,11,13-17,19,25H,7-10,18H2,1-4H3
• InChIKey: NYBRBPOOTAKCQC-UHFFFAOYSA-N
• XLogP: 3.46
• TPSA: 87.51 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	484.61
LogP ≤ 5	3.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of 4-[6-[4-(2-methoxy-3-methylbutyl)piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 126740223) is 4-[6-[4-(2-methoxy-3-methylbutyl)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-(2-methoxy-3-methylbutyl)piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?

The canonical SMILES for 4-[6-[4-(2-methoxy-3-methylbutyl)piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile is COC(CN1CCN(c2ccc(-c3cc(-c4cnn(C)c4)cn4ncc(C#N)c34)cn2)CC1)C(C)C.

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

The InChIKey is NYBRBPOOTAKCQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N8O/c1-19(2)25(36-4)18-33-7-9-34(10-8-33)26-6-5-20(13-29-26)24-11-21(23-15-30-32(3)16-23)17-35-27(24)22(12-28)14-31-35/h5-6,11,13-17,19,25H,7-10,18H2,1-4H3.

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

4-[6-[4-(2-methoxy-3-methylbutyl)piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 484.61 g/mol, XLogP of 3.46, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[6-[4-(2-methoxy-3-methylbutyl)piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 126740223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).