4-[4-(2,4-difluorophenyl)-6,7-dimethylpteridin-2-yl]-2-methylmorpholine;1-(oxetan-3-ylmethyl)pyrazole

C26H29F2N7O2 — CID 166121288

About 4-[4-(2,4-difluorophenyl)-6,7-dimethylpteridin-2-yl]-2-methylmorpholine;1-(oxetan-3-ylmethyl)pyrazole

4-[4-(2,4-difluorophenyl)-6,7-dimethylpteridin-2-yl]-2-methylmorpholine;1-(oxetan-3-ylmethyl)pyrazole (PubChem CID 166121288) has the molecular formula C26H29F2N7O2 and a molecular weight of 509.56 g/mol. Its IUPAC name is 4-[4-(2,4-difluorophenyl)-6,7-dimethylpteridin-2-yl]-2-methylmorpholine;1-(oxetan-3-ylmethyl)pyrazole.

Molecular Properties

• Compound Name: 4-[4-(2,4-difluorophenyl)-6,7-dimethylpteridin-2-yl]-2-methylmorpholine;1-(oxetan-3-ylmethyl)pyrazole
• PubChem CID: 166121288
• Molecular Formula: C26H29F2N7O2
• Molecular Weight: 509.56 g/mol
• Exact Mass: 509.24
• IUPAC Name: 4-[4-(2,4-difluorophenyl)-6,7-dimethylpteridin-2-yl]-2-methylmorpholine;1-(oxetan-3-ylmethyl)pyrazole
• SMILES: Cc1nc2nc(N3CCOC(C)C3)nc(-c3ccc(F)cc3F)c2nc1C.c1cnn(CC2COC2)c1
• InChI: InChI=1S/C19H19F2N5O.C7H10N2O/c1-10-9-26(6-7-27-10)19-24-16(14-5-4-13(20)8-15(14)21)17-18(25-19)23-12(3)11(2)22-17;1-2-8-9(3-1)4-7-5-10-6-7/h4-5,8,10H,6-7,9H2,1-3H3;1-3,7H,4-6H2
• InChIKey: OPBYNGSCAQRZKK-UHFFFAOYSA-N
• XLogP: 3.74
• TPSA: 91.08 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 4
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	509.56
LogP ≤ 5	3.74
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2,4-difluorophenyl)-6,7-dimethylpteridin-2-yl]-2-methylmorpholine;1-(oxetan-3-ylmethyl)pyrazole?

The IUPAC name of 4-[4-(2,4-difluorophenyl)-6,7-dimethylpteridin-2-yl]-2-methylmorpholine;1-(oxetan-3-ylmethyl)pyrazole (CID 166121288) is 4-[4-(2,4-difluorophenyl)-6,7-dimethylpteridin-2-yl]-2-methylmorpholine;1-(oxetan-3-ylmethyl)pyrazole.

What is the SMILES notation for 4-[4-(2,4-difluorophenyl)-6,7-dimethylpteridin-2-yl]-2-methylmorpholine;1-(oxetan-3-ylmethyl)pyrazole?

The canonical SMILES for 4-[4-(2,4-difluorophenyl)-6,7-dimethylpteridin-2-yl]-2-methylmorpholine;1-(oxetan-3-ylmethyl)pyrazole is Cc1nc2nc(N3CCOC(C)C3)nc(-c3ccc(F)cc3F)c2nc1C.c1cnn(CC2COC2)c1.

What is the InChIKey of 4-[4-(2,4-difluorophenyl)-6,7-dimethylpteridin-2-yl]-2-methylmorpholine;1-(oxetan-3-ylmethyl)pyrazole?

The InChIKey is OPBYNGSCAQRZKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N5O.C7H10N2O/c1-10-9-26(6-7-27-10)19-24-16(14-5-4-13(20)8-15(14)21)17-18(25-19)23-12(3)11(2)22-17;1-2-8-9(3-1)4-7-5-10-6-7/h4-5,8,10H,6-7,9H2,1-3H3;1-3,7H,4-6H2.

What are the key properties of 4-[4-(2,4-difluorophenyl)-6,7-dimethylpteridin-2-yl]-2-methylmorpholine;1-(oxetan-3-ylmethyl)pyrazole?

4-[4-(2,4-difluorophenyl)-6,7-dimethylpteridin-2-yl]-2-methylmorpholine;1-(oxetan-3-ylmethyl)pyrazole has a molecular weight of 509.56 g/mol, XLogP of 3.74, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-(2,4-difluorophenyl)-6,7-dimethylpteridin-2-yl]-2-methylmorpholine;1-(oxetan-3-ylmethyl)pyrazole is sourced from PubChem (CID 166121288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).