6-(1-propan-2-ylpyrazol-4-yl)-4-[6-[4-(pyridine-3-carbonyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile

C28H26N10O — CID 162725620

About 6-(1-propan-2-ylpyrazol-4-yl)-4-[6-[4-(pyridine-3-carbonyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile

6-(1-propan-2-ylpyrazol-4-yl)-4-[6-[4-(pyridine-3-carbonyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile (PubChem CID 162725620) has the molecular formula C28H26N10O and a molecular weight of 518.59 g/mol. Its IUPAC name is 6-(1-propan-2-ylpyrazol-4-yl)-4-[6-[4-(pyridine-3-carbonyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile.

Molecular Properties

• Compound Name: 6-(1-propan-2-ylpyrazol-4-yl)-4-[6-[4-(pyridine-3-carbonyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile
• PubChem CID: 162725620
• Molecular Formula: C28H26N10O
• Molecular Weight: 518.59 g/mol
• Exact Mass: 518.23
• IUPAC Name: 6-(1-propan-2-ylpyrazol-4-yl)-4-[6-[4-(pyridine-3-carbonyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile
• SMILES: CC(C)n1cc(-c2cn3ncc(C#N)c3c(-c3ccc(N4CCN(C(=O)c5cccnc5)CC4)nc3)n2)cn1
• InChI: InChI=1S/C28H26N10O/c1-19(2)37-17-23(16-32-37)24-18-38-27(22(12-29)15-33-38)26(34-24)20-5-6-25(31-14-20)35-8-10-36(11-9-35)28(39)21-4-3-7-30-13-21/h3-7,13-19H,8-11H2,1-2H3
• InChIKey: UEYLWWNOUIMIBQ-UHFFFAOYSA-N
• XLogP: 3.46
• TPSA: 121.13 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 5
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	518.59
LogP ≤ 5	3.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of 6-(1-propan-2-ylpyrazol-4-yl)-4-[6-[4-(pyridine-3-carbonyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile (CID 162725620) is 6-(1-propan-2-ylpyrazol-4-yl)-4-[6-[4-(pyridine-3-carbonyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile.

What is the SMILES notation for 6-(1-propan-2-ylpyrazol-4-yl)-4-[6-[4-(pyridine-3-carbonyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile?

The canonical SMILES for 6-(1-propan-2-ylpyrazol-4-yl)-4-[6-[4-(pyridine-3-carbonyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile is CC(C)n1cc(-c2cn3ncc(C#N)c3c(-c3ccc(N4CCN(C(=O)c5cccnc5)CC4)nc3)n2)cn1.

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

The InChIKey is UEYLWWNOUIMIBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N10O/c1-19(2)37-17-23(16-32-37)24-18-38-27(22(12-29)15-33-38)26(34-24)20-5-6-25(31-14-20)35-8-10-36(11-9-35)28(39)21-4-3-7-30-13-21/h3-7,13-19H,8-11H2,1-2H3.

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

6-(1-propan-2-ylpyrazol-4-yl)-4-[6-[4-(pyridine-3-carbonyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile has a molecular weight of 518.59 g/mol, XLogP of 3.46, 5 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(1-propan-2-ylpyrazol-4-yl)-4-[6-[4-(pyridine-3-carbonyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile is sourced from PubChem (CID 162725620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).