(2S,6R)-2-(1-cyclopropylpyrazol-4-yl)-4-[4-(2,4-difluorophenyl)-7-methyl-6-(3-methyl-1,2-oxazol-5-yl)pyrido[2,3-d]pyrimidin-2-yl]-6-methylmorpholine

C29H27F2N7O2 — CID 177137244

About (2S,6R)-2-(1-cyclopropylpyrazol-4-yl)-4-[4-(2,4-difluorophenyl)-7-methyl-6-(3-methyl-1,2-oxazol-5-yl)pyrido[2,3-d]pyrimidin-2-yl]-6-methylmorpholine

(2S,6R)-2-(1-cyclopropylpyrazol-4-yl)-4-[4-(2,4-difluorophenyl)-7-methyl-6-(3-methyl-1,2-oxazol-5-yl)pyrido[2,3-d]pyrimidin-2-yl]-6-methylmorpholine (PubChem CID 177137244) has the molecular formula C29H27F2N7O2 and a molecular weight of 543.58 g/mol. Its IUPAC name is (2S,6R)-2-(1-cyclopropylpyrazol-4-yl)-4-[4-(2,4-difluorophenyl)-7-methyl-6-(3-methyl-1,2-oxazol-5-yl)pyrido[2,3-d]pyrimidin-2-yl]-6-methylmorpholine.

Molecular Properties

• Compound Name: (2S,6R)-2-(1-cyclopropylpyrazol-4-yl)-4-[4-(2,4-difluorophenyl)-7-methyl-6-(3-methyl-1,2-oxazol-5-yl)pyrido[2,3-d]pyrimidin-2-yl]-6-methylmorpholine
• PubChem CID: 177137244
• Molecular Formula: C29H27F2N7O2
• Molecular Weight: 543.58 g/mol
• Exact Mass: 543.22
• IUPAC Name: (2S,6R)-2-(1-cyclopropylpyrazol-4-yl)-4-[4-(2,4-difluorophenyl)-7-methyl-6-(3-methyl-1,2-oxazol-5-yl)pyrido[2,3-d]pyrimidin-2-yl]-6-methylmorpholine
• SMILES: Cc1cc(-c2cc3c(-c4ccc(F)cc4F)nc(N4C[C@@H](C)O[C@@H](c5cnn(C6CC6)c5)C4)nc3nc2C)on1
• InChI: InChI=1S/C29H27F2N7O2/c1-15-8-25(40-36-15)22-10-23-27(21-7-4-19(30)9-24(21)31)34-29(35-28(23)33-17(22)3)37-12-16(2)39-26(14-37)18-11-32-38(13-18)20-5-6-20/h4,7-11,13,16,20,26H,5-6,12,14H2,1-3H3/t16-,26-/m1/s1
• InChIKey: KNKMBWNSIQPLNI-AKJBCIBTSA-N
• XLogP: 5.74
• TPSA: 94.99 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	543.58
LogP ≤ 5	5.74
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of (2S,6R)-2-(1-cyclopropylpyrazol-4-yl)-4-[4-(2,4-difluorophenyl)-7-methyl-6-(3-methyl-1,2-oxazol-5-yl)pyrido[2,3-d]pyrimidin-2-yl]-6-methylmorpholine (CID 177137244) is (2S,6R)-2-(1-cyclopropylpyrazol-4-yl)-4-[4-(2,4-difluorophenyl)-7-methyl-6-(3-methyl-1,2-oxazol-5-yl)pyrido[2,3-d]pyrimidin-2-yl]-6-methylmorpholine.

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

The canonical SMILES for (2S,6R)-2-(1-cyclopropylpyrazol-4-yl)-4-[4-(2,4-difluorophenyl)-7-methyl-6-(3-methyl-1,2-oxazol-5-yl)pyrido[2,3-d]pyrimidin-2-yl]-6-methylmorpholine is Cc1cc(-c2cc3c(-c4ccc(F)cc4F)nc(N4C[C@@H](C)O[C@@H](c5cnn(C6CC6)c5)C4)nc3nc2C)on1.

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

The InChIKey is KNKMBWNSIQPLNI-AKJBCIBTSA-N. The full InChI is InChI=1S/C29H27F2N7O2/c1-15-8-25(40-36-15)22-10-23-27(21-7-4-19(30)9-24(21)31)34-29(35-28(23)33-17(22)3)37-12-16(2)39-26(14-37)18-11-32-38(13-18)20-5-6-20/h4,7-11,13,16,20,26H,5-6,12,14H2,1-3H3/t16-,26-/m1/s1.

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

(2S,6R)-2-(1-cyclopropylpyrazol-4-yl)-4-[4-(2,4-difluorophenyl)-7-methyl-6-(3-methyl-1,2-oxazol-5-yl)pyrido[2,3-d]pyrimidin-2-yl]-6-methylmorpholine has a molecular weight of 543.58 g/mol, XLogP of 5.74, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,6R)-2-(1-cyclopropylpyrazol-4-yl)-4-[4-(2,4-difluorophenyl)-7-methyl-6-(3-methyl-1,2-oxazol-5-yl)pyrido[2,3-d]pyrimidin-2-yl]-6-methylmorpholine is sourced from PubChem (CID 177137244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).