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

C29H29N9O — CID 126740334

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

4-[6-[4-[(6-methoxy-2-methyl-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 126740334) has the molecular formula C29H29N9O and a molecular weight of 519.61 g/mol. Its IUPAC name is 4-[6-[4-[(6-methoxy-2-methyl-3-pyridinyl)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-[(6-methoxy-2-methyl-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
• PubChem CID: 126740334
• Molecular Formula: C29H29N9O
• Molecular Weight: 519.61 g/mol
• Exact Mass: 519.25
• IUPAC Name: 4-[6-[4-[(6-methoxy-2-methyl-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
• SMILES: COc1ccc(CN2CCN(c3ccc(-c4cc(-c5cnn(C)c5)cn5ncc(C#N)c45)cn3)CC2)c(C)n1
• InChI: InChI=1S/C29H29N9O/c1-20-22(5-7-28(34-20)39-3)18-36-8-10-37(11-9-36)27-6-4-21(14-31-27)26-12-23(25-16-32-35(2)17-25)19-38-29(26)24(13-30)15-33-38/h4-7,12,14-17,19H,8-11,18H2,1-3H3
• InChIKey: NLXSXVJFMNMEAK-UHFFFAOYSA-N
• XLogP: 3.70
• TPSA: 100.40 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	519.61
LogP ≤ 5	3.70
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 4-[6-[4-[(6-methoxy-2-methyl-3-pyridinyl)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-[(6-methoxy-2-methyl-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 126740334) is 4-[6-[4-[(6-methoxy-2-methyl-3-pyridinyl)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-[(6-methoxy-2-methyl-3-pyridinyl)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-[(6-methoxy-2-methyl-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile is COc1ccc(CN2CCN(c3ccc(-c4cc(-c5cnn(C)c5)cn5ncc(C#N)c45)cn3)CC2)c(C)n1.

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

The InChIKey is NLXSXVJFMNMEAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N9O/c1-20-22(5-7-28(34-20)39-3)18-36-8-10-37(11-9-36)27-6-4-21(14-31-27)26-12-23(25-16-32-35(2)17-25)19-38-29(26)24(13-30)15-33-38/h4-7,12,14-17,19H,8-11,18H2,1-3H3.

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

4-[6-[4-[(6-methoxy-2-methyl-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 519.61 g/mol, XLogP of 3.70, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[6-[4-[(6-methoxy-2-methyl-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 126740334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).