4-[[2-(3,7-dimethylquinoxalin-2-yl)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]-1-methylcyclohexan-1-ol;hydrochloride

C27H34ClN7O — CID 155519903

About 4-[[2-(3,7-dimethylquinoxalin-2-yl)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]-1-methylcyclohexan-1-ol;hydrochloride

4-[[2-(3,7-dimethylquinoxalin-2-yl)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]-1-methylcyclohexan-1-ol;hydrochloride (PubChem CID 155519903) has the molecular formula C27H34ClN7O and a molecular weight of 508.07 g/mol. Its IUPAC name is 4-[[2-(3,7-dimethylquinoxalin-2-yl)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]-1-methylcyclohexan-1-ol;hydrochloride.

Molecular Properties

• Compound Name: 4-[[2-(3,7-dimethylquinoxalin-2-yl)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]-1-methylcyclohexan-1-ol;hydrochloride
• PubChem CID: 155519903
• Molecular Formula: C27H34ClN7O
• Molecular Weight: 508.07 g/mol
• Exact Mass: 507.25
• IUPAC Name: 4-[[2-(3,7-dimethylquinoxalin-2-yl)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]-1-methylcyclohexan-1-ol;hydrochloride
• SMILES: Cc1ccc2nc(C)c(-c3cc4nc(N5CCCC5)cc(NC5CCC(C)(O)CC5)n4n3)nc2c1.Cl
• InChI: InChI=1S/C27H33N7O.ClH/c1-17-6-7-20-21(14-17)30-26(18(2)28-20)22-15-24-31-23(33-12-4-5-13-33)16-25(34(24)32-22)29-19-8-10-27(3,35)11-9-19;/h6-7,14-16,19,29,35H,4-5,8-13H2,1-3H3;1H
• InChIKey: SVKWENGJLQHFTQ-UHFFFAOYSA-N
• XLogP: 5.08
• TPSA: 91.47 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	508.07
LogP ≤ 5	5.08
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(3,7-dimethylquinoxalin-2-yl)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]-1-methylcyclohexan-1-ol;hydrochloride?

The IUPAC name of 4-[[2-(3,7-dimethylquinoxalin-2-yl)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]-1-methylcyclohexan-1-ol;hydrochloride (CID 155519903) is 4-[[2-(3,7-dimethylquinoxalin-2-yl)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]-1-methylcyclohexan-1-ol;hydrochloride.

What is the SMILES notation for 4-[[2-(3,7-dimethylquinoxalin-2-yl)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]-1-methylcyclohexan-1-ol;hydrochloride?

The canonical SMILES for 4-[[2-(3,7-dimethylquinoxalin-2-yl)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]-1-methylcyclohexan-1-ol;hydrochloride is Cc1ccc2nc(C)c(-c3cc4nc(N5CCCC5)cc(NC5CCC(C)(O)CC5)n4n3)nc2c1.Cl.

What is the InChIKey of 4-[[2-(3,7-dimethylquinoxalin-2-yl)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]-1-methylcyclohexan-1-ol;hydrochloride?

The InChIKey is SVKWENGJLQHFTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N7O.ClH/c1-17-6-7-20-21(14-17)30-26(18(2)28-20)22-15-24-31-23(33-12-4-5-13-33)16-25(34(24)32-22)29-19-8-10-27(3,35)11-9-19;/h6-7,14-16,19,29,35H,4-5,8-13H2,1-3H3;1H.

What are the key properties of 4-[[2-(3,7-dimethylquinoxalin-2-yl)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]-1-methylcyclohexan-1-ol;hydrochloride?

4-[[2-(3,7-dimethylquinoxalin-2-yl)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]-1-methylcyclohexan-1-ol;hydrochloride has a molecular weight of 508.07 g/mol, XLogP of 5.08, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[2-(3,7-dimethylquinoxalin-2-yl)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]-1-methylcyclohexan-1-ol;hydrochloride is sourced from PubChem (CID 155519903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).