5-[2-methyl-6-[[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)piperazin-1-yl]methyl]morpholin-4-yl]quinoline-8-carbonitrile

C26H32N8O — CID 146275701

About 5-[2-methyl-6-[[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)piperazin-1-yl]methyl]morpholin-4-yl]quinoline-8-carbonitrile

5-[2-methyl-6-[[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)piperazin-1-yl]methyl]morpholin-4-yl]quinoline-8-carbonitrile (PubChem CID 146275701) has the molecular formula C26H32N8O and a molecular weight of 472.60 g/mol. Its IUPAC name is 5-[2-methyl-6-[[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)piperazin-1-yl]methyl]morpholin-4-yl]quinoline-8-carbonitrile.

Molecular Properties

• Compound Name: 5-[2-methyl-6-[[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)piperazin-1-yl]methyl]morpholin-4-yl]quinoline-8-carbonitrile
• PubChem CID: 146275701
• Molecular Formula: C26H32N8O
• Molecular Weight: 472.60 g/mol
• Exact Mass: 472.27
• IUPAC Name: 5-[2-methyl-6-[[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)piperazin-1-yl]methyl]morpholin-4-yl]quinoline-8-carbonitrile
• SMILES: CC1CN(c2ccc(C#N)c3ncccc23)CC(CN2CCN(c3cc4n(n3)CCNC4)CC2)O1
• InChI: InChI=1S/C26H32N8O/c1-19-16-33(24-5-4-20(14-27)26-23(24)3-2-6-29-26)18-22(35-19)17-31-9-11-32(12-10-31)25-13-21-15-28-7-8-34(21)30-25/h2-6,13,19,22,28H,7-12,15-18H2,1H3
• InChIKey: RVEFODKMDQKOPB-UHFFFAOYSA-N
• XLogP: 1.82
• TPSA: 85.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	472.60
LogP ≤ 5	1.82
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 5-[2-methyl-6-[[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)piperazin-1-yl]methyl]morpholin-4-yl]quinoline-8-carbonitrile?

The IUPAC name of 5-[2-methyl-6-[[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)piperazin-1-yl]methyl]morpholin-4-yl]quinoline-8-carbonitrile (CID 146275701) is 5-[2-methyl-6-[[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)piperazin-1-yl]methyl]morpholin-4-yl]quinoline-8-carbonitrile.

What is the SMILES notation for 5-[2-methyl-6-[[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)piperazin-1-yl]methyl]morpholin-4-yl]quinoline-8-carbonitrile?

The canonical SMILES for 5-[2-methyl-6-[[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)piperazin-1-yl]methyl]morpholin-4-yl]quinoline-8-carbonitrile is CC1CN(c2ccc(C#N)c3ncccc23)CC(CN2CCN(c3cc4n(n3)CCNC4)CC2)O1.

What is the InChIKey of 5-[2-methyl-6-[[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)piperazin-1-yl]methyl]morpholin-4-yl]quinoline-8-carbonitrile?

The InChIKey is RVEFODKMDQKOPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N8O/c1-19-16-33(24-5-4-20(14-27)26-23(24)3-2-6-29-26)18-22(35-19)17-31-9-11-32(12-10-31)25-13-21-15-28-7-8-34(21)30-25/h2-6,13,19,22,28H,7-12,15-18H2,1H3.

What are the key properties of 5-[2-methyl-6-[[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)piperazin-1-yl]methyl]morpholin-4-yl]quinoline-8-carbonitrile?

5-[2-methyl-6-[[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)piperazin-1-yl]methyl]morpholin-4-yl]quinoline-8-carbonitrile has a molecular weight of 472.60 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-methyl-6-[[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)piperazin-1-yl]methyl]morpholin-4-yl]quinoline-8-carbonitrile is sourced from PubChem (CID 146275701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).