6-[[4-(5-cyclohexyl-1H-pyrazol-4-yl)pyrimidin-2-yl]amino]-1,3-dimethyl-4-propan-2-yl-3H-quinoxalin-2-one

C26H33N7O — CID 166661212

About 6-[[4-(5-cyclohexyl-1H-pyrazol-4-yl)pyrimidin-2-yl]amino]-1,3-dimethyl-4-propan-2-yl-3H-quinoxalin-2-one

6-[[4-(5-cyclohexyl-1H-pyrazol-4-yl)pyrimidin-2-yl]amino]-1,3-dimethyl-4-propan-2-yl-3H-quinoxalin-2-one (PubChem CID 166661212) has the molecular formula C26H33N7O and a molecular weight of 459.60 g/mol. Its IUPAC name is 6-[[4-(5-cyclohexyl-1H-pyrazol-4-yl)pyrimidin-2-yl]amino]-1,3-dimethyl-4-propan-2-yl-3H-quinoxalin-2-one.

Molecular Properties

• Compound Name: 6-[[4-(5-cyclohexyl-1H-pyrazol-4-yl)pyrimidin-2-yl]amino]-1,3-dimethyl-4-propan-2-yl-3H-quinoxalin-2-one
• PubChem CID: 166661212
• Molecular Formula: C26H33N7O
• Molecular Weight: 459.60 g/mol
• Exact Mass: 459.27
• IUPAC Name: 6-[[4-(5-cyclohexyl-1H-pyrazol-4-yl)pyrimidin-2-yl]amino]-1,3-dimethyl-4-propan-2-yl-3H-quinoxalin-2-one
• SMILES: CC(C)N1c2cc(Nc3nccc(-c4cn[nH]c4C4CCCCC4)n3)ccc2N(C)C(=O)C1C
• InChI: InChI=1S/C26H33N7O/c1-16(2)33-17(3)25(34)32(4)22-11-10-19(14-23(22)33)29-26-27-13-12-21(30-26)20-15-28-31-24(20)18-8-6-5-7-9-18/h10-18H,5-9H2,1-4H3,(H,28,31)(H,27,29,30)
• InChIKey: RHXUWTRITDZNAG-UHFFFAOYSA-N
• XLogP: 5.24
• TPSA: 90.04 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	459.60
LogP ≤ 5	5.24
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-[[4-(5-cyclohexyl-1H-pyrazol-4-yl)pyrimidin-2-yl]amino]-1,3-dimethyl-4-propan-2-yl-3H-quinoxalin-2-one?

The IUPAC name of 6-[[4-(5-cyclohexyl-1H-pyrazol-4-yl)pyrimidin-2-yl]amino]-1,3-dimethyl-4-propan-2-yl-3H-quinoxalin-2-one (CID 166661212) is 6-[[4-(5-cyclohexyl-1H-pyrazol-4-yl)pyrimidin-2-yl]amino]-1,3-dimethyl-4-propan-2-yl-3H-quinoxalin-2-one.

What is the SMILES notation for 6-[[4-(5-cyclohexyl-1H-pyrazol-4-yl)pyrimidin-2-yl]amino]-1,3-dimethyl-4-propan-2-yl-3H-quinoxalin-2-one?

The canonical SMILES for 6-[[4-(5-cyclohexyl-1H-pyrazol-4-yl)pyrimidin-2-yl]amino]-1,3-dimethyl-4-propan-2-yl-3H-quinoxalin-2-one is CC(C)N1c2cc(Nc3nccc(-c4cn[nH]c4C4CCCCC4)n3)ccc2N(C)C(=O)C1C.

What is the InChIKey of 6-[[4-(5-cyclohexyl-1H-pyrazol-4-yl)pyrimidin-2-yl]amino]-1,3-dimethyl-4-propan-2-yl-3H-quinoxalin-2-one?

The InChIKey is RHXUWTRITDZNAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N7O/c1-16(2)33-17(3)25(34)32(4)22-11-10-19(14-23(22)33)29-26-27-13-12-21(30-26)20-15-28-31-24(20)18-8-6-5-7-9-18/h10-18H,5-9H2,1-4H3,(H,28,31)(H,27,29,30).

What are the key properties of 6-[[4-(5-cyclohexyl-1H-pyrazol-4-yl)pyrimidin-2-yl]amino]-1,3-dimethyl-4-propan-2-yl-3H-quinoxalin-2-one?

6-[[4-(5-cyclohexyl-1H-pyrazol-4-yl)pyrimidin-2-yl]amino]-1,3-dimethyl-4-propan-2-yl-3H-quinoxalin-2-one has a molecular weight of 459.60 g/mol, XLogP of 5.24, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[4-(5-cyclohexyl-1H-pyrazol-4-yl)pyrimidin-2-yl]amino]-1,3-dimethyl-4-propan-2-yl-3H-quinoxalin-2-one is sourced from PubChem (CID 166661212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).