2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-8-[[4-[1-cyclopropyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-4-methyl-6-(1-methylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one

C36H37F3N8O2 — CID 170707566

IUPAC2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-8-[[4-[1-cyclopropyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-4-methyl-6-(1-methylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one
SMILESCOc1ncnc(C2CC2)c1-c1nc(C)c2cc(C3CCN(C)CC3)c(=O)n(Cc3ccc(-c4nc(C(F)(F)F)cn4C4CC4)cc3)c2n1
InChIInChI=1S/C36H37F3N8O2/c1-20-26-16-27(22-12-14-45(2)15-13-22)35(48)47(33(26)44-31(42-20)29-30(23-8-9-23)40-19-41-34(29)49-3)17-21-4-6-24(7-5-21)32-43-28(36(37,38)39)18-46(32)25-10-11-25/h4-7,16,18-19,22-23,25H,8-15,17H2,1-3H3
InChIKeyYVWDCLDDAHUFRI-UHFFFAOYSA-N
MW670.74 g/mol
LogP6.52
Rot. Bonds8

About 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-8-[[4-[1-cyclopropyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-4-methyl-6-(1-methylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one

2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-8-[[4-[1-cyclopropyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-4-methyl-6-(1-methylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 170707566) has the molecular formula C36H37F3N8O2 and a molecular weight of 670.74 g/mol. Its IUPAC name is 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-8-[[4-[1-cyclopropyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-4-methyl-6-(1-methylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-8-[[4-[1-cyclopropyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-4-methyl-6-(1-methylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one
PubChem CID170707566
Molecular FormulaC36H37F3N8O2
Molecular Weight670.74 g/mol
Exact Mass670.30
IUPAC Name2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-8-[[4-[1-cyclopropyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-4-methyl-6-(1-methylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one
SMILESCOc1ncnc(C2CC2)c1-c1nc(C)c2cc(C3CCN(C)CC3)c(=O)n(Cc3ccc(-c4nc(C(F)(F)F)cn4C4CC4)cc3)c2n1
InChIInChI=1S/C36H37F3N8O2/c1-20-26-16-27(22-12-14-45(2)15-13-22)35(48)47(33(26)44-31(42-20)29-30(23-8-9-23)40-19-41-34(29)49-3)17-21-4-6-24(7-5-21)32-43-28(36(37,38)39)18-46(32)25-10-11-25/h4-7,16,18-19,22-23,25H,8-15,17H2,1-3H3
InChIKeyYVWDCLDDAHUFRI-UHFFFAOYSA-N
XLogP6.52
TPSA103.85 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500670.74
LogP ≤ 56.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-8-[[4-[1-cyclopropyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-4-methyl-6-(1-methylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-8-[[4-[1-cyclopropyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-4-methyl-6-(1-methylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-8-[[4-[1-cyclopropyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-4-methyl-6-(1-methylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one (CID 170707566) is 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-8-[[4-[1-cyclopropyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-4-methyl-6-(1-methylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-8-[[4-[1-cyclopropyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-4-methyl-6-(1-methylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-8-[[4-[1-cyclopropyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-4-methyl-6-(1-methylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one is COc1ncnc(C2CC2)c1-c1nc(C)c2cc(C3CCN(C)CC3)c(=O)n(Cc3ccc(-c4nc(C(F)(F)F)cn4C4CC4)cc3)c2n1.
What is the InChIKey of 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-8-[[4-[1-cyclopropyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-4-methyl-6-(1-methylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is YVWDCLDDAHUFRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H37F3N8O2/c1-20-26-16-27(22-12-14-45(2)15-13-22)35(48)47(33(26)44-31(42-20)29-30(23-8-9-23)40-19-41-34(29)49-3)17-21-4-6-24(7-5-21)32-43-28(36(37,38)39)18-46(32)25-10-11-25/h4-7,16,18-19,22-23,25H,8-15,17H2,1-3H3.
What are the key properties of 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-8-[[4-[1-cyclopropyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-4-methyl-6-(1-methylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one?
2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-8-[[4-[1-cyclopropyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-4-methyl-6-(1-methylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 670.74 g/mol, XLogP of 6.52, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-8-[[4-[1-cyclopropyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-4-methyl-6-(1-methylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 170707566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).