2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-8-[[4-[6-(trifluoromethyl)pyrazin-2-yl]phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one

C27H20F3N7O2 — CID 170707363

About 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-8-[[4-[6-(trifluoromethyl)pyrazin-2-yl]phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one

2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-8-[[4-[6-(trifluoromethyl)pyrazin-2-yl]phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 170707363) has the molecular formula C27H20F3N7O2 and a molecular weight of 531.50 g/mol. Its IUPAC name is 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-8-[[4-[6-(trifluoromethyl)pyrazin-2-yl]phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

• Compound Name: 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-8-[[4-[6-(trifluoromethyl)pyrazin-2-yl]phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one
• PubChem CID: 170707363
• Molecular Formula: C27H20F3N7O2
• Molecular Weight: 531.50 g/mol
• Exact Mass: 531.16
• IUPAC Name: 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-8-[[4-[6-(trifluoromethyl)pyrazin-2-yl]phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one
• SMILES: COc1ncnc(C2CC2)c1-c1ncc2ccc(=O)n(Cc3ccc(-c4cncc(C(F)(F)F)n4)cc3)c2n1
• InChI: InChI=1S/C27H20F3N7O2/c1-39-26-22(23(17-6-7-17)33-14-34-26)24-32-10-18-8-9-21(38)37(25(18)36-24)13-15-2-4-16(5-3-15)19-11-31-12-20(35-19)27(28,29)30/h2-5,8-12,14,17H,6-7,13H2,1H3
• InChIKey: IWRGXZKWTLHOKF-UHFFFAOYSA-N
• XLogP: 4.66
• TPSA: 108.57 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	531.50
LogP ≤ 5	4.66
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-8-[[4-[6-(trifluoromethyl)pyrazin-2-yl]phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one?

The IUPAC name of 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-8-[[4-[6-(trifluoromethyl)pyrazin-2-yl]phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one (CID 170707363) is 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-8-[[4-[6-(trifluoromethyl)pyrazin-2-yl]phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one.

What is the SMILES notation for 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-8-[[4-[6-(trifluoromethyl)pyrazin-2-yl]phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one?

The canonical SMILES for 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-8-[[4-[6-(trifluoromethyl)pyrazin-2-yl]phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one is COc1ncnc(C2CC2)c1-c1ncc2ccc(=O)n(Cc3ccc(-c4cncc(C(F)(F)F)n4)cc3)c2n1.

What is the InChIKey of 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-8-[[4-[6-(trifluoromethyl)pyrazin-2-yl]phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one?

The InChIKey is IWRGXZKWTLHOKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20F3N7O2/c1-39-26-22(23(17-6-7-17)33-14-34-26)24-32-10-18-8-9-21(38)37(25(18)36-24)13-15-2-4-16(5-3-15)19-11-31-12-20(35-19)27(28,29)30/h2-5,8-12,14,17H,6-7,13H2,1H3.

What are the key properties of 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-8-[[4-[6-(trifluoromethyl)pyrazin-2-yl]phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one?

2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-8-[[4-[6-(trifluoromethyl)pyrazin-2-yl]phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 531.50 g/mol, XLogP of 4.66, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-8-[[4-[6-(trifluoromethyl)pyrazin-2-yl]phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 170707363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).