2-(1-cyclopropylpyrazol-4-yl)-4-[4-(2,4-difluorophenyl)-6-(4,5-dihydro-1,3-oxazol-2-yl)-7-methylpyrido[2,3-d]pyrimidin-2-yl]-6-methylmorpholine

C28H27F2N7O2 — CID 177137237

About 2-(1-cyclopropylpyrazol-4-yl)-4-[4-(2,4-difluorophenyl)-6-(4,5-dihydro-1,3-oxazol-2-yl)-7-methylpyrido[2,3-d]pyrimidin-2-yl]-6-methylmorpholine

2-(1-cyclopropylpyrazol-4-yl)-4-[4-(2,4-difluorophenyl)-6-(4,5-dihydro-1,3-oxazol-2-yl)-7-methylpyrido[2,3-d]pyrimidin-2-yl]-6-methylmorpholine (PubChem CID 177137237) has the molecular formula C28H27F2N7O2 and a molecular weight of 531.57 g/mol. Its IUPAC name is 2-(1-cyclopropylpyrazol-4-yl)-4-[4-(2,4-difluorophenyl)-6-(4,5-dihydro-1,3-oxazol-2-yl)-7-methylpyrido[2,3-d]pyrimidin-2-yl]-6-methylmorpholine.

Molecular Properties

• Compound Name: 2-(1-cyclopropylpyrazol-4-yl)-4-[4-(2,4-difluorophenyl)-6-(4,5-dihydro-1,3-oxazol-2-yl)-7-methylpyrido[2,3-d]pyrimidin-2-yl]-6-methylmorpholine
• PubChem CID: 177137237
• Molecular Formula: C28H27F2N7O2
• Molecular Weight: 531.57 g/mol
• Exact Mass: 531.22
• IUPAC Name: 2-(1-cyclopropylpyrazol-4-yl)-4-[4-(2,4-difluorophenyl)-6-(4,5-dihydro-1,3-oxazol-2-yl)-7-methylpyrido[2,3-d]pyrimidin-2-yl]-6-methylmorpholine
• SMILES: Cc1nc2nc(N3CC(C)OC(c4cnn(C5CC5)c4)C3)nc(-c3ccc(F)cc3F)c2cc1C1=NCCO1
• InChI: InChI=1S/C28H27F2N7O2/c1-15-12-36(14-24(39-15)17-11-32-37(13-17)19-4-5-19)28-34-25(20-6-3-18(29)9-23(20)30)22-10-21(27-31-7-8-38-27)16(2)33-26(22)35-28/h3,6,9-11,13,15,19,24H,4-5,7-8,12,14H2,1-2H3
• InChIKey: DUMHWESYJAWPMJ-UHFFFAOYSA-N
• XLogP: 4.55
• TPSA: 90.55 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	531.57
LogP ≤ 5	4.55
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopropylpyrazol-4-yl)-4-[4-(2,4-difluorophenyl)-6-(4,5-dihydro-1,3-oxazol-2-yl)-7-methylpyrido[2,3-d]pyrimidin-2-yl]-6-methylmorpholine?

The IUPAC name of 2-(1-cyclopropylpyrazol-4-yl)-4-[4-(2,4-difluorophenyl)-6-(4,5-dihydro-1,3-oxazol-2-yl)-7-methylpyrido[2,3-d]pyrimidin-2-yl]-6-methylmorpholine (CID 177137237) is 2-(1-cyclopropylpyrazol-4-yl)-4-[4-(2,4-difluorophenyl)-6-(4,5-dihydro-1,3-oxazol-2-yl)-7-methylpyrido[2,3-d]pyrimidin-2-yl]-6-methylmorpholine.

What is the SMILES notation for 2-(1-cyclopropylpyrazol-4-yl)-4-[4-(2,4-difluorophenyl)-6-(4,5-dihydro-1,3-oxazol-2-yl)-7-methylpyrido[2,3-d]pyrimidin-2-yl]-6-methylmorpholine?

The canonical SMILES for 2-(1-cyclopropylpyrazol-4-yl)-4-[4-(2,4-difluorophenyl)-6-(4,5-dihydro-1,3-oxazol-2-yl)-7-methylpyrido[2,3-d]pyrimidin-2-yl]-6-methylmorpholine is Cc1nc2nc(N3CC(C)OC(c4cnn(C5CC5)c4)C3)nc(-c3ccc(F)cc3F)c2cc1C1=NCCO1.

What is the InChIKey of 2-(1-cyclopropylpyrazol-4-yl)-4-[4-(2,4-difluorophenyl)-6-(4,5-dihydro-1,3-oxazol-2-yl)-7-methylpyrido[2,3-d]pyrimidin-2-yl]-6-methylmorpholine?

The InChIKey is DUMHWESYJAWPMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27F2N7O2/c1-15-12-36(14-24(39-15)17-11-32-37(13-17)19-4-5-19)28-34-25(20-6-3-18(29)9-23(20)30)22-10-21(27-31-7-8-38-27)16(2)33-26(22)35-28/h3,6,9-11,13,15,19,24H,4-5,7-8,12,14H2,1-2H3.

What are the key properties of 2-(1-cyclopropylpyrazol-4-yl)-4-[4-(2,4-difluorophenyl)-6-(4,5-dihydro-1,3-oxazol-2-yl)-7-methylpyrido[2,3-d]pyrimidin-2-yl]-6-methylmorpholine?

2-(1-cyclopropylpyrazol-4-yl)-4-[4-(2,4-difluorophenyl)-6-(4,5-dihydro-1,3-oxazol-2-yl)-7-methylpyrido[2,3-d]pyrimidin-2-yl]-6-methylmorpholine has a molecular weight of 531.57 g/mol, XLogP of 4.55, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1-cyclopropylpyrazol-4-yl)-4-[4-(2,4-difluorophenyl)-6-(4,5-dihydro-1,3-oxazol-2-yl)-7-methylpyrido[2,3-d]pyrimidin-2-yl]-6-methylmorpholine is sourced from PubChem (CID 177137237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).