(2R)-2-(1-cyclopropylpyrazol-4-yl)-4-[7-methyl-4-[4-(trifluoromethyl)cyclohexyl]pyrido[2,3-d]pyrimidin-2-yl]morpholine;4-[4-(2,4-difluorophenyl)-6,7-dimethylpyrido[2,3-d]pyrimidin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine;ethane

C₅₀H₅₇F₅N₁₂O₂ — CID 157044519

About (2R)-2-(1-cyclopropylpyrazol-4-yl)-4-[7-methyl-4-[4-(trifluoromethyl)cyclohexyl]pyrido[2,3-d]pyrimidin-2-yl]morpholine;4-[4-(2,4-difluorophenyl)-6,7-dimethylpyrido[2,3-d]pyrimidin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine;ethane

(2R)-2-(1-cyclopropylpyrazol-4-yl)-4-[7-methyl-4-[4-(trifluoromethyl)cyclohexyl]pyrido[2,3-d]pyrimidin-2-yl]morpholine;4-[4-(2,4-difluorophenyl)-6,7-dimethylpyrido[2,3-d]pyrimidin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine;ethane (PubChem CID 157044519) has the molecular formula C₅₀H₅₇F₅N₁₂O₂ and a molecular weight of 953.08 g/mol. Its IUPAC name is (2R)-2-(1-cyclopropylpyrazol-4-yl)-4-[7-methyl-4-[4-(trifluoromethyl)cyclohexyl]pyrido[2,3-d]pyrimidin-2-yl]morpholine;4-[4-(2,4-difluorophenyl)-6,7-dimethylpyrido[2,3-d]pyrimidin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine;ethane.

Molecular Properties

• Compound Name: (2R)-2-(1-cyclopropylpyrazol-4-yl)-4-[7-methyl-4-[4-(trifluoromethyl)cyclohexyl]pyrido[2,3-d]pyrimidin-2-yl]morpholine;4-[4-(2,4-difluorophenyl)-6,7-dimethylpyrido[2,3-d]pyrimidin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine;ethane
• PubChem CID: 157044519
• Molecular Formula: C₅₀H₅₇F₅N₁₂O₂
• Molecular Weight: 953.08 g/mol
• Exact Mass: 952.46
• IUPAC Name: (2R)-2-(1-cyclopropylpyrazol-4-yl)-4-[7-methyl-4-[4-(trifluoromethyl)cyclohexyl]pyrido[2,3-d]pyrimidin-2-yl]morpholine;4-[4-(2,4-difluorophenyl)-6,7-dimethylpyrido[2,3-d]pyrimidin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine;ethane
• SMILES: CC.Cc1cc2c(-c3ccc(F)cc3F)nc(N3CCOC(c4cnn(C)c4)C3)nc2nc1C.Cc1ccc2c(C3CCC(C(F)(F)F)CC3)nc(N3CCO[C@H](c4cnn(C5CC5)c4)C3)nc2n1
• InChI: InChI=1S/C25H29F3N6O.C23H22F2N6O.C2H6/c1-15-2-9-20-22(16-3-5-18(6-4-16)25(26,27)28)31-24(32-23(20)30-15)33-10-11-35-21(14-33)17-12-29-34(13-17)19-7-8-19;1-13-8-18-21(17-5-4-16(24)9-19(17)25)28-23(29-22(18)27-14(13)2)31-6-7-32-20(12-31)15-10-26-30(3)11-15;1-2/h2,9,12-13,16,18-19,21H,3-8,10-11,14H2,1H3;4-5,8-11,20H,6-7,12H2,1-3H3;1-2H3/t16?,18?,21-;;/m0../s1
• InChIKey: LAZOGNSGJLRXLE-FFBVWINISA-N
• XLogP: 10.20
• TPSA: 137.92 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 7
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	953.08
LogP ≤ 5	10.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(1-cyclopropylpyrazol-4-yl)-4-[7-methyl-4-[4-(trifluoromethyl)cyclohexyl]pyrido[2,3-d]pyrimidin-2-yl]morpholine;4-[4-(2,4-difluorophenyl)-6,7-dimethylpyrido[2,3-d]pyrimidin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine;ethane?

The IUPAC name of (2R)-2-(1-cyclopropylpyrazol-4-yl)-4-[7-methyl-4-[4-(trifluoromethyl)cyclohexyl]pyrido[2,3-d]pyrimidin-2-yl]morpholine;4-[4-(2,4-difluorophenyl)-6,7-dimethylpyrido[2,3-d]pyrimidin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine;ethane (CID 157044519) is (2R)-2-(1-cyclopropylpyrazol-4-yl)-4-[7-methyl-4-[4-(trifluoromethyl)cyclohexyl]pyrido[2,3-d]pyrimidin-2-yl]morpholine;4-[4-(2,4-difluorophenyl)-6,7-dimethylpyrido[2,3-d]pyrimidin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine;ethane.

What is the SMILES notation for (2R)-2-(1-cyclopropylpyrazol-4-yl)-4-[7-methyl-4-[4-(trifluoromethyl)cyclohexyl]pyrido[2,3-d]pyrimidin-2-yl]morpholine;4-[4-(2,4-difluorophenyl)-6,7-dimethylpyrido[2,3-d]pyrimidin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine;ethane?

The canonical SMILES for (2R)-2-(1-cyclopropylpyrazol-4-yl)-4-[7-methyl-4-[4-(trifluoromethyl)cyclohexyl]pyrido[2,3-d]pyrimidin-2-yl]morpholine;4-[4-(2,4-difluorophenyl)-6,7-dimethylpyrido[2,3-d]pyrimidin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine;ethane is CC.Cc1cc2c(-c3ccc(F)cc3F)nc(N3CCOC(c4cnn(C)c4)C3)nc2nc1C.Cc1ccc2c(C3CCC(C(F)(F)F)CC3)nc(N3CCO[C@H](c4cnn(C5CC5)c4)C3)nc2n1.

What is the InChIKey of (2R)-2-(1-cyclopropylpyrazol-4-yl)-4-[7-methyl-4-[4-(trifluoromethyl)cyclohexyl]pyrido[2,3-d]pyrimidin-2-yl]morpholine;4-[4-(2,4-difluorophenyl)-6,7-dimethylpyrido[2,3-d]pyrimidin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine;ethane?

The InChIKey is LAZOGNSGJLRXLE-FFBVWINISA-N. The full InChI is InChI=1S/C25H29F3N6O.C23H22F2N6O.C2H6/c1-15-2-9-20-22(16-3-5-18(6-4-16)25(26,27)28)31-24(32-23(20)30-15)33-10-11-35-21(14-33)17-12-29-34(13-17)19-7-8-19;1-13-8-18-21(17-5-4-16(24)9-19(17)25)28-23(29-22(18)27-14(13)2)31-6-7-32-20(12-31)15-10-26-30(3)11-15;1-2/h2,9,12-13,16,18-19,21H,3-8,10-11,14H2,1H3;4-5,8-11,20H,6-7,12H2,1-3H3;1-2H3/t16?,18?,21-;;/m0../s1.

What are the key properties of (2R)-2-(1-cyclopropylpyrazol-4-yl)-4-[7-methyl-4-[4-(trifluoromethyl)cyclohexyl]pyrido[2,3-d]pyrimidin-2-yl]morpholine;4-[4-(2,4-difluorophenyl)-6,7-dimethylpyrido[2,3-d]pyrimidin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine;ethane?

(2R)-2-(1-cyclopropylpyrazol-4-yl)-4-[7-methyl-4-[4-(trifluoromethyl)cyclohexyl]pyrido[2,3-d]pyrimidin-2-yl]morpholine;4-[4-(2,4-difluorophenyl)-6,7-dimethylpyrido[2,3-d]pyrimidin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine;ethane has a molecular weight of 953.08 g/mol, XLogP of 10.20, 7 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-(1-cyclopropylpyrazol-4-yl)-4-[7-methyl-4-[4-(trifluoromethyl)cyclohexyl]pyrido[2,3-d]pyrimidin-2-yl]morpholine;4-[4-(2,4-difluorophenyl)-6,7-dimethylpyrido[2,3-d]pyrimidin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine;ethane is sourced from PubChem (CID 157044519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 157044519 — identifiers, structure, computed properties (public domain)

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