8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)methylamino]pyrido[2,3-d]pyrimidin-7-one

C24H18F3N7O — CID 59639586

IUPAC8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)methylamino]pyrido[2,3-d]pyrimidin-7-one
SMILESCc1nc(CNc2nc(-c3ccc(F)cc3C)c3ccc(=O)n(-c4c(F)cccc4F)c3n2)n[nH]1
InChIInChI=1S/C24H18F3N7O/c1-12-10-14(25)6-7-15(12)21-16-8-9-20(35)34(22-17(26)4-3-5-18(22)27)23(16)31-24(30-21)28-11-19-29-13(2)32-33-19/h3-10H,11H2,1-2H3,(H,28,30,31)(H,29,32,33)
InChIKeyRTHSVMYDIBEWQU-UHFFFAOYSA-N
MW477.45 g/mol
LogP4.21
Rot. Bonds5

About 8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)methylamino]pyrido[2,3-d]pyrimidin-7-one

8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)methylamino]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 59639586) has the molecular formula C24H18F3N7O and a molecular weight of 477.45 g/mol. Its IUPAC name is 8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)methylamino]pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)methylamino]pyrido[2,3-d]pyrimidin-7-one
PubChem CID59639586
Molecular FormulaC24H18F3N7O
Molecular Weight477.45 g/mol
Exact Mass477.15
IUPAC Name8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)methylamino]pyrido[2,3-d]pyrimidin-7-one
SMILESCc1nc(CNc2nc(-c3ccc(F)cc3C)c3ccc(=O)n(-c4c(F)cccc4F)c3n2)n[nH]1
InChIInChI=1S/C24H18F3N7O/c1-12-10-14(25)6-7-15(12)21-16-8-9-20(35)34(22-17(26)4-3-5-18(22)27)23(16)31-24(30-21)28-11-19-29-13(2)32-33-19/h3-10H,11H2,1-2H3,(H,28,30,31)(H,29,32,33)
InChIKeyRTHSVMYDIBEWQU-UHFFFAOYSA-N
XLogP4.21
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.45
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)methylamino]pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)methylamino]pyrido[2,3-d]pyrimidin-7-one (CID 59639586) is 8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)methylamino]pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)methylamino]pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)methylamino]pyrido[2,3-d]pyrimidin-7-one is Cc1nc(CNc2nc(-c3ccc(F)cc3C)c3ccc(=O)n(-c4c(F)cccc4F)c3n2)n[nH]1.
What is the InChIKey of 8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)methylamino]pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is RTHSVMYDIBEWQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F3N7O/c1-12-10-14(25)6-7-15(12)21-16-8-9-20(35)34(22-17(26)4-3-5-18(22)27)23(16)31-24(30-21)28-11-19-29-13(2)32-33-19/h3-10H,11H2,1-2H3,(H,28,30,31)(H,29,32,33).
What are the key properties of 8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)methylamino]pyrido[2,3-d]pyrimidin-7-one?
8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)methylamino]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 477.45 g/mol, XLogP of 4.21, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)methylamino]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 59639586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).