6-(1-methylpyrazol-4-yl)-4-[6-[4-[(2S)-2-phenyl-2-pyrrolidin-2-ylacetyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile

C32H32N10O — CID 135241899

About 6-(1-methylpyrazol-4-yl)-4-[6-[4-[(2S)-2-phenyl-2-pyrrolidin-2-ylacetyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile

6-(1-methylpyrazol-4-yl)-4-[6-[4-[(2S)-2-phenyl-2-pyrrolidin-2-ylacetyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile (PubChem CID 135241899) has the molecular formula C32H32N10O and a molecular weight of 572.68 g/mol. Its IUPAC name is 6-(1-methylpyrazol-4-yl)-4-[6-[4-[(2S)-2-phenyl-2-pyrrolidin-2-ylacetyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile.

Molecular Properties

• Compound Name: 6-(1-methylpyrazol-4-yl)-4-[6-[4-[(2S)-2-phenyl-2-pyrrolidin-2-ylacetyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile
• PubChem CID: 135241899
• Molecular Formula: C32H32N10O
• Molecular Weight: 572.68 g/mol
• Exact Mass: 572.28
• IUPAC Name: 6-(1-methylpyrazol-4-yl)-4-[6-[4-[(2S)-2-phenyl-2-pyrrolidin-2-ylacetyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile
• SMILES: Cn1cc(-c2cn3ncc(C#N)c3c(-c3ccc(N4CCN(C(=O)[C@@H](c5ccccc5)C5CCCN5)CC4)nc3)n2)cn1
• InChI: InChI=1S/C32H32N10O/c1-39-20-25(19-36-39)27-21-42-31(24(16-33)18-37-42)30(38-27)23-9-10-28(35-17-23)40-12-14-41(15-13-40)32(43)29(26-8-5-11-34-26)22-6-3-2-4-7-22/h2-4,6-7,9-10,17-21,26,29,34H,5,8,11-15H2,1H3/t26?,29-/m0/s1
• InChIKey: DJSBQDPAVKTZBU-BTMGADRYSA-N
• XLogP: 3.25
• TPSA: 120.27 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	572.68
LogP ≤ 5	3.25
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 6-(1-methylpyrazol-4-yl)-4-[6-[4-[(2S)-2-phenyl-2-pyrrolidin-2-ylacetyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile?

The IUPAC name of 6-(1-methylpyrazol-4-yl)-4-[6-[4-[(2S)-2-phenyl-2-pyrrolidin-2-ylacetyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile (CID 135241899) is 6-(1-methylpyrazol-4-yl)-4-[6-[4-[(2S)-2-phenyl-2-pyrrolidin-2-ylacetyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile.

What is the SMILES notation for 6-(1-methylpyrazol-4-yl)-4-[6-[4-[(2S)-2-phenyl-2-pyrrolidin-2-ylacetyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile?

The canonical SMILES for 6-(1-methylpyrazol-4-yl)-4-[6-[4-[(2S)-2-phenyl-2-pyrrolidin-2-ylacetyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile is Cn1cc(-c2cn3ncc(C#N)c3c(-c3ccc(N4CCN(C(=O)[C@@H](c5ccccc5)C5CCCN5)CC4)nc3)n2)cn1.

What is the InChIKey of 6-(1-methylpyrazol-4-yl)-4-[6-[4-[(2S)-2-phenyl-2-pyrrolidin-2-ylacetyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile?

The InChIKey is DJSBQDPAVKTZBU-BTMGADRYSA-N. The full InChI is InChI=1S/C32H32N10O/c1-39-20-25(19-36-39)27-21-42-31(24(16-33)18-37-42)30(38-27)23-9-10-28(35-17-23)40-12-14-41(15-13-40)32(43)29(26-8-5-11-34-26)22-6-3-2-4-7-22/h2-4,6-7,9-10,17-21,26,29,34H,5,8,11-15H2,1H3/t26?,29-/m0/s1.

What are the key properties of 6-(1-methylpyrazol-4-yl)-4-[6-[4-[(2S)-2-phenyl-2-pyrrolidin-2-ylacetyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile?

6-(1-methylpyrazol-4-yl)-4-[6-[4-[(2S)-2-phenyl-2-pyrrolidin-2-ylacetyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile has a molecular weight of 572.68 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 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-[(2S)-2-phenyl-2-pyrrolidin-2-ylacetyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carbonitrile is sourced from PubChem (CID 135241899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).