4-[4-(2,4-difluorophenyl)-6,7-dimethylpyrido[2,3-d]pyrimidin-2-yl]morpholine;(2S)-4-[4-(2,4-difluorophenyl)-7-ethylpyrido[2,3-d]pyrimidin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine;ethane;2-methylpyridine

C50H53F4N11O2 — CID 157045221

About 4-[4-(2,4-difluorophenyl)-6,7-dimethylpyrido[2,3-d]pyrimidin-2-yl]morpholine;(2S)-4-[4-(2,4-difluorophenyl)-7-ethylpyrido[2,3-d]pyrimidin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine;ethane;2-methylpyridine

4-[4-(2,4-difluorophenyl)-6,7-dimethylpyrido[2,3-d]pyrimidin-2-yl]morpholine;(2S)-4-[4-(2,4-difluorophenyl)-7-ethylpyrido[2,3-d]pyrimidin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine;ethane;2-methylpyridine (PubChem CID 157045221) has the molecular formula C50H53F4N11O2 and a molecular weight of 916.04 g/mol. Its IUPAC name is 4-[4-(2,4-difluorophenyl)-6,7-dimethylpyrido[2,3-d]pyrimidin-2-yl]morpholine;(2S)-4-[4-(2,4-difluorophenyl)-7-ethylpyrido[2,3-d]pyrimidin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine;ethane;2-methylpyridine.

Molecular Properties

• Compound Name: 4-[4-(2,4-difluorophenyl)-6,7-dimethylpyrido[2,3-d]pyrimidin-2-yl]morpholine;(2S)-4-[4-(2,4-difluorophenyl)-7-ethylpyrido[2,3-d]pyrimidin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine;ethane;2-methylpyridine
• PubChem CID: 157045221
• Molecular Formula: C50H53F4N11O2
• Molecular Weight: 916.04 g/mol
• Exact Mass: 915.43
• IUPAC Name: 4-[4-(2,4-difluorophenyl)-6,7-dimethylpyrido[2,3-d]pyrimidin-2-yl]morpholine;(2S)-4-[4-(2,4-difluorophenyl)-7-ethylpyrido[2,3-d]pyrimidin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine;ethane;2-methylpyridine
• SMILES: CC.CCc1ccc2c(-c3ccc(F)cc3F)nc(N3CCO[C@@H](c4cnn(C)c4)C3)nc2n1.Cc1cc2c(-c3ccc(F)cc3F)nc(N3CCOCC3)nc2nc1C.Cc1ccccn1
• InChI: InChI=1S/C23H22F2N6O.C19H18F2N4O.C6H7N.C2H6/c1-3-16-5-7-18-21(17-6-4-15(24)10-19(17)25)28-23(29-22(18)27-16)31-8-9-32-20(13-31)14-11-26-30(2)12-14;1-11-9-15-17(14-4-3-13(20)10-16(14)21)23-19(24-18(15)22-12(11)2)25-5-7-26-8-6-25;1-6-4-2-3-5-7-6;1-2/h4-7,10-12,20H,3,8-9,13H2,1-2H3;3-4,9-10H,5-8H2,1-2H3;2-5H,1H3;1-2H3/t20-;;;/m1.../s1
• InChIKey: LRHOCMNGKRMNBW-BOPOOPDGSA-N
• XLogP: 9.68
• TPSA: 132.99 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 6
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	916.04
LogP ≤ 5	9.68
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2,4-difluorophenyl)-6,7-dimethylpyrido[2,3-d]pyrimidin-2-yl]morpholine;(2S)-4-[4-(2,4-difluorophenyl)-7-ethylpyrido[2,3-d]pyrimidin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine;ethane;2-methylpyridine?

The IUPAC name of 4-[4-(2,4-difluorophenyl)-6,7-dimethylpyrido[2,3-d]pyrimidin-2-yl]morpholine;(2S)-4-[4-(2,4-difluorophenyl)-7-ethylpyrido[2,3-d]pyrimidin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine;ethane;2-methylpyridine (CID 157045221) is 4-[4-(2,4-difluorophenyl)-6,7-dimethylpyrido[2,3-d]pyrimidin-2-yl]morpholine;(2S)-4-[4-(2,4-difluorophenyl)-7-ethylpyrido[2,3-d]pyrimidin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine;ethane;2-methylpyridine.

What is the SMILES notation for 4-[4-(2,4-difluorophenyl)-6,7-dimethylpyrido[2,3-d]pyrimidin-2-yl]morpholine;(2S)-4-[4-(2,4-difluorophenyl)-7-ethylpyrido[2,3-d]pyrimidin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine;ethane;2-methylpyridine?

The canonical SMILES for 4-[4-(2,4-difluorophenyl)-6,7-dimethylpyrido[2,3-d]pyrimidin-2-yl]morpholine;(2S)-4-[4-(2,4-difluorophenyl)-7-ethylpyrido[2,3-d]pyrimidin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine;ethane;2-methylpyridine is CC.CCc1ccc2c(-c3ccc(F)cc3F)nc(N3CCO[C@@H](c4cnn(C)c4)C3)nc2n1.Cc1cc2c(-c3ccc(F)cc3F)nc(N3CCOCC3)nc2nc1C.Cc1ccccn1.

What is the InChIKey of 4-[4-(2,4-difluorophenyl)-6,7-dimethylpyrido[2,3-d]pyrimidin-2-yl]morpholine;(2S)-4-[4-(2,4-difluorophenyl)-7-ethylpyrido[2,3-d]pyrimidin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine;ethane;2-methylpyridine?

The InChIKey is LRHOCMNGKRMNBW-BOPOOPDGSA-N. The full InChI is InChI=1S/C23H22F2N6O.C19H18F2N4O.C6H7N.C2H6/c1-3-16-5-7-18-21(17-6-4-15(24)10-19(17)25)28-23(29-22(18)27-16)31-8-9-32-20(13-31)14-11-26-30(2)12-14;1-11-9-15-17(14-4-3-13(20)10-16(14)21)23-19(24-18(15)22-12(11)2)25-5-7-26-8-6-25;1-6-4-2-3-5-7-6;1-2/h4-7,10-12,20H,3,8-9,13H2,1-2H3;3-4,9-10H,5-8H2,1-2H3;2-5H,1H3;1-2H3/t20-;;;/m1.../s1.

What are the key properties of 4-[4-(2,4-difluorophenyl)-6,7-dimethylpyrido[2,3-d]pyrimidin-2-yl]morpholine;(2S)-4-[4-(2,4-difluorophenyl)-7-ethylpyrido[2,3-d]pyrimidin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine;ethane;2-methylpyridine?

4-[4-(2,4-difluorophenyl)-6,7-dimethylpyrido[2,3-d]pyrimidin-2-yl]morpholine;(2S)-4-[4-(2,4-difluorophenyl)-7-ethylpyrido[2,3-d]pyrimidin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine;ethane;2-methylpyridine has a molecular weight of 916.04 g/mol, XLogP of 9.68, 6 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-(2,4-difluorophenyl)-6,7-dimethylpyrido[2,3-d]pyrimidin-2-yl]morpholine;(2S)-4-[4-(2,4-difluorophenyl)-7-ethylpyrido[2,3-d]pyrimidin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine;ethane;2-methylpyridine is sourced from PubChem (CID 157045221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).