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

C30H31N9O — CID 126740393

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

4-[6-[4-[[6-(2-hydroxypropan-2-yl)-3-pyridinyl]methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 126740393) has the molecular formula C30H31N9O and a molecular weight of 533.64 g/mol. Its IUPAC name is 4-[6-[4-[[6-(2-hydroxypropan-2-yl)-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-(2-hydroxypropan-2-yl)-3-pyridinyl]methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
• PubChem CID: 126740393
• Molecular Formula: C30H31N9O
• Molecular Weight: 533.64 g/mol
• Exact Mass: 533.27
• IUPAC Name: 4-[6-[4-[[6-(2-hydroxypropan-2-yl)-3-pyridinyl]methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
• SMILES: Cn1cc(-c2cc(-c3ccc(N4CCN(Cc5ccc(C(C)(C)O)nc5)CC4)nc3)c3c(C#N)cnn3c2)cn1
• InChI: InChI=1S/C30H31N9O/c1-30(2,40)27-6-4-21(14-32-27)18-37-8-10-38(11-9-37)28-7-5-22(15-33-28)26-12-23(25-17-34-36(3)19-25)20-39-29(26)24(13-31)16-35-39/h4-7,12,14-17,19-20,40H,8-11,18H2,1-3H3
• InChIKey: IWUSLRUKTRNKDN-UHFFFAOYSA-N
• XLogP: 3.61
• TPSA: 111.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	533.64
LogP ≤ 5	3.61
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 4-[6-[4-[[6-(2-hydroxypropan-2-yl)-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-(2-hydroxypropan-2-yl)-3-pyridinyl]methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 126740393) is 4-[6-[4-[[6-(2-hydroxypropan-2-yl)-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-(2-hydroxypropan-2-yl)-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-(2-hydroxypropan-2-yl)-3-pyridinyl]methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile is Cn1cc(-c2cc(-c3ccc(N4CCN(Cc5ccc(C(C)(C)O)nc5)CC4)nc3)c3c(C#N)cnn3c2)cn1.

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

The InChIKey is IWUSLRUKTRNKDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31N9O/c1-30(2,40)27-6-4-21(14-32-27)18-37-8-10-38(11-9-37)28-7-5-22(15-33-28)26-12-23(25-17-34-36(3)19-25)20-39-29(26)24(13-31)16-35-39/h4-7,12,14-17,19-20,40H,8-11,18H2,1-3H3.

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

4-[6-[4-[[6-(2-hydroxypropan-2-yl)-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 533.64 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[6-[4-[[6-(2-hydroxypropan-2-yl)-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 126740393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).