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

C27H22F3N7O2 — CID 169086393

IUPAC2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-8-[[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one
SMILESCOc1ncnc(C2CC2)c1-c1ncc2ccc(=O)n(Cc3ccc(-n4nc(C(F)(F)F)cc4C)cc3)c2n1
InChIInChI=1S/C27H22F3N7O2/c1-15-11-20(27(28,29)30)35-37(15)19-8-3-16(4-9-19)13-36-21(38)10-7-18-12-31-24(34-25(18)36)22-23(17-5-6-17)32-14-33-26(22)39-2/h3-4,7-12,14,17H,5-6,13H2,1-2H3
InChIKeyLYHJNDYWNOAVHB-UHFFFAOYSA-N
MW533.51 g/mol
LogP4.70
Rot. Bonds6

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

2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-8-[[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 169086393) has the molecular formula C27H22F3N7O2 and a molecular weight of 533.51 g/mol. Its IUPAC name is 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-8-[[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-8-[[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one
PubChem CID169086393
Molecular FormulaC27H22F3N7O2
Molecular Weight533.51 g/mol
Exact Mass533.18
IUPAC Name2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-8-[[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one
SMILESCOc1ncnc(C2CC2)c1-c1ncc2ccc(=O)n(Cc3ccc(-n4nc(C(F)(F)F)cc4C)cc3)c2n1
InChIInChI=1S/C27H22F3N7O2/c1-15-11-20(27(28,29)30)35-37(15)19-8-3-16(4-9-19)13-36-21(38)10-7-18-12-31-24(34-25(18)36)22-23(17-5-6-17)32-14-33-26(22)39-2/h3-4,7-12,14,17H,5-6,13H2,1-2H3
InChIKeyLYHJNDYWNOAVHB-UHFFFAOYSA-N
XLogP4.70
TPSA100.61 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500533.51
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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

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Related Compounds

9-[[4-[3-(1-acetylpiperidin-4-yl)pyrazol-1-yl]phenyl]methyl]-2-[2-(2,2,2-trifluoroethoxy)pyridin-3-yl]-7H-purin-8-one
CID 129140073
9-[[4-[5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]-2-(2-propan-2-ylpyridin-3-yl)-7H-purin-8-one
CID 129140272
6-(4-Cyclopropyl-6-methoxypyrimidin-5-yl)-1-[[4-[5-ethoxy-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]pyrazolo[3,4-d]pyrimidine
CID 147550249
8-Cyclopropyl-2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-9-[[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]purine
CID 148117934
8-Cyclobutyl-2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-9-[[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]purine
CID 149286296
6-(4-Cyclopropyl-6-methoxypyrimidin-5-yl)-1-[[4-[3-(difluoromethyl)-5-methylpyrazol-1-yl]phenyl]methyl]pyrazolo[3,4-d]pyrimidine
CID 149626290
6-(4-Methoxy-6-methylpyrimidin-5-yl)-1-[[4-[5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]pyrazolo[3,4-d]pyrimidine
CID 150057603
6-(4-Methoxy-6-methylpyrimidin-5-yl)-1-[[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]pyrazolo[3,4-d]pyrimidine
CID 150616572
2-(4-Cyclopropyl-6-methoxypyrimidin-5-yl)-8-methyl-9-[[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]purine
CID 150847844
6-(4-Cyclopropyl-6-methoxypyrimidin-5-yl)-1-[[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]pyrazolo[3,4-d]pyrimidine
CID 151633175
6-(4-Cyclopropyl-6-methoxypyrimidin-5-yl)-1-[[4-[5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]pyrazolo[3,4-d]pyrimidine
CID 152133050
6-[4-Cyclopropyl-6-(2-methoxyethoxy)pyrimidin-5-yl]-1-[[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]pyrazolo[3,4-d]pyrimidine
CID 153621049

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-8-[[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-8-[[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one (CID 169086393) is 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-8-[[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-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-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-8-[[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one is COc1ncnc(C2CC2)c1-c1ncc2ccc(=O)n(Cc3ccc(-n4nc(C(F)(F)F)cc4C)cc3)c2n1.
What is the InChIKey of 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-8-[[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is LYHJNDYWNOAVHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22F3N7O2/c1-15-11-20(27(28,29)30)35-37(15)19-8-3-16(4-9-19)13-36-21(38)10-7-18-12-31-24(34-25(18)36)22-23(17-5-6-17)32-14-33-26(22)39-2/h3-4,7-12,14,17H,5-6,13H2,1-2H3.
What are the key properties of 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-8-[[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one?
2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-8-[[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 533.51 g/mol, XLogP of 4.70, 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-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 169086393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).