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

C30H31N9O — CID 126740147

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

6-(1-methylpyrazol-4-yl)-4-[6-[4-[(6-propan-2-yloxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 126740147) has the molecular formula C30H31N9O and a molecular weight of 533.64 g/mol. Its IUPAC name is 6-(1-methylpyrazol-4-yl)-4-[6-[4-[(6-propan-2-yloxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 6-(1-methylpyrazol-4-yl)-4-[6-[4-[(6-propan-2-yloxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
• PubChem CID: 126740147
• Molecular Formula: C30H31N9O
• Molecular Weight: 533.64 g/mol
• Exact Mass: 533.27
• IUPAC Name: 6-(1-methylpyrazol-4-yl)-4-[6-[4-[(6-propan-2-yloxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
• SMILES: CC(C)Oc1ccc(CN2CCN(c3ccc(-c4cc(-c5cnn(C)c5)cn5ncc(C#N)c45)cn3)CC2)cn1
• InChI: InChI=1S/C30H31N9O/c1-21(2)40-29-7-4-22(14-33-29)18-37-8-10-38(11-9-37)28-6-5-23(15-32-28)27-12-24(26-17-34-36(3)19-26)20-39-30(27)25(13-31)16-35-39/h4-7,12,14-17,19-21H,8-11,18H2,1-3H3
• InChIKey: UEXPRSICIMZRBZ-UHFFFAOYSA-N
• XLogP: 4.17
• TPSA: 100.40 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	533.64
LogP ≤ 5	4.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of 6-(1-methylpyrazol-4-yl)-4-[6-[4-[(6-propan-2-yloxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 126740147) is 6-(1-methylpyrazol-4-yl)-4-[6-[4-[(6-propan-2-yloxy-3-pyridinyl)methyl]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-[(6-propan-2-yloxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The canonical SMILES for 6-(1-methylpyrazol-4-yl)-4-[6-[4-[(6-propan-2-yloxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is CC(C)Oc1ccc(CN2CCN(c3ccc(-c4cc(-c5cnn(C)c5)cn5ncc(C#N)c45)cn3)CC2)cn1.

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

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

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

6-(1-methylpyrazol-4-yl)-4-[6-[4-[(6-propan-2-yloxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 533.64 g/mol, XLogP of 4.17, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(1-methylpyrazol-4-yl)-4-[6-[4-[(6-propan-2-yloxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 126740147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).