6-[4-(2-fluoro-6-methylphenyl)piperazin-1-yl]-2-methyl-8-[[3-(trifluoromethoxy)-2-pyridinyl]methyl]pyrido[2,3-d]pyrimidin-7-one

C26H24F4N6O2 — CID 174278125

IUPAC6-[4-(2-fluoro-6-methylphenyl)piperazin-1-yl]-2-methyl-8-[[3-(trifluoromethoxy)-2-pyridinyl]methyl]pyrido[2,3-d]pyrimidin-7-one
SMILESCc1ncc2cc(N3CCN(c4c(C)cccc4F)CC3)c(=O)n(Cc3ncccc3OC(F)(F)F)c2n1
InChIInChI=1S/C26H24F4N6O2/c1-16-5-3-6-19(27)23(16)35-11-9-34(10-12-35)21-13-18-14-32-17(2)33-24(18)36(25(21)37)15-20-22(7-4-8-31-20)38-26(28,29)30/h3-8,13-14H,9-12,15H2,1-2H3
InChIKeyGYKSUAXOXWXKIU-UHFFFAOYSA-N
MW528.51 g/mol
LogP4.22
Rot. Bonds5

About 6-[4-(2-fluoro-6-methylphenyl)piperazin-1-yl]-2-methyl-8-[[3-(trifluoromethoxy)-2-pyridinyl]methyl]pyrido[2,3-d]pyrimidin-7-one

6-[4-(2-fluoro-6-methylphenyl)piperazin-1-yl]-2-methyl-8-[[3-(trifluoromethoxy)-2-pyridinyl]methyl]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 174278125) has the molecular formula C26H24F4N6O2 and a molecular weight of 528.51 g/mol. Its IUPAC name is 6-[4-(2-fluoro-6-methylphenyl)piperazin-1-yl]-2-methyl-8-[[3-(trifluoromethoxy)-2-pyridinyl]methyl]pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-[4-(2-fluoro-6-methylphenyl)piperazin-1-yl]-2-methyl-8-[[3-(trifluoromethoxy)-2-pyridinyl]methyl]pyrido[2,3-d]pyrimidin-7-one
PubChem CID174278125
Molecular FormulaC26H24F4N6O2
Molecular Weight528.51 g/mol
Exact Mass528.19
IUPAC Name6-[4-(2-fluoro-6-methylphenyl)piperazin-1-yl]-2-methyl-8-[[3-(trifluoromethoxy)-2-pyridinyl]methyl]pyrido[2,3-d]pyrimidin-7-one
SMILESCc1ncc2cc(N3CCN(c4c(C)cccc4F)CC3)c(=O)n(Cc3ncccc3OC(F)(F)F)c2n1
InChIInChI=1S/C26H24F4N6O2/c1-16-5-3-6-19(27)23(16)35-11-9-34(10-12-35)21-13-18-14-32-17(2)33-24(18)36(25(21)37)15-20-22(7-4-8-31-20)38-26(28,29)30/h3-8,13-14H,9-12,15H2,1-2H3
InChIKeyGYKSUAXOXWXKIU-UHFFFAOYSA-N
XLogP4.22
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500528.51
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 6-[4-(2-fluoro-6-methylphenyl)piperazin-1-yl]-2-methyl-8-[[3-(trifluoromethoxy)-2-pyridinyl]methyl]pyrido[2,3-d]pyrimidin-7-one with MolForge

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Related Compounds

7-[4-(2-fluoro-6-methylphenyl)piperidin-1-yl]-3-methyl-5-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyrido[2,3-b]pyrazin-6-one
CID 174278111
3-[1-(2-fluoro-6-methylphenyl)piperidin-4-yl]-7-methyl-1-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pteridine-2,4-dione
CID 174277584
3-cyclohexyl-7-methyl-1-[[3-(trifluoromethoxy)-2-pyridinyl]methyl]-1,8-naphthyridin-2-one;1-fluoro-3-methylbenzene
CID 176552746
5-[[3-(difluoromethoxy)pyrazin-2-yl]methyl]-7-[1-(2-fluoro-6-methylphenyl)piperidin-4-yl]-3-methylpyrido[2,3-b]pyrazin-6-one
CID 174278695
5-[(3-cyclopropyloxy-2-pyridinyl)methyl]-7-[4-(2-fluoro-6-methylphenyl)cyclohexyl]-3-methylpyrido[2,3-b]pyrazin-6-one
CID 174279486
7-[1-(2-fluoro-6-methylphenyl)piperidin-4-yl]-5-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrido[2,3-b]pyrazin-6-one
CID 174277266
1-[[3-(1,1-difluoroethyl)-2-pyridinyl]methyl]-3-[4-(2-fluoro-6-methylphenyl)cyclohexyl]-7-methyl-1,8-naphthyridin-2-one
CID 174279237
3-[4-(2-fluoro-6-methylphenyl)cyclohexyl]-7-methyl-1-[[3-(2,2,2-trifluoroethyl)-2-pyridinyl]methyl]-1,8-naphthyridin-2-one
CID 174279488
[2-fluoro-6-[(3-methyl-2-pyridinyl)methoxy]phenyl]methanamine
CID 112649743
7-[(1R,3S)-3-(2-fluoro-6-methylphenyl)cyclopentyl]-3-methyl-5-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyrido[2,3-b]pyrazin-6-one
CID 174278788
4-[4-(2-fluoro-6-methylphenyl)cyclohexyl]-6-[6-(trifluoromethoxy)-3-pyridinyl]-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyridazin-3-one
CID 177327968
3-(1,1-difluoroethyl)-7-[4-(2-fluoro-6-methylphenyl)cyclohexyl]-5-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyrido[2,3-b]pyrazin-6-one
CID 174279647

Frequently Asked Questions

What is the IUPAC name of 6-[4-(2-fluoro-6-methylphenyl)piperazin-1-yl]-2-methyl-8-[[3-(trifluoromethoxy)-2-pyridinyl]methyl]pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-[4-(2-fluoro-6-methylphenyl)piperazin-1-yl]-2-methyl-8-[[3-(trifluoromethoxy)-2-pyridinyl]methyl]pyrido[2,3-d]pyrimidin-7-one (CID 174278125) is 6-[4-(2-fluoro-6-methylphenyl)piperazin-1-yl]-2-methyl-8-[[3-(trifluoromethoxy)-2-pyridinyl]methyl]pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-[4-(2-fluoro-6-methylphenyl)piperazin-1-yl]-2-methyl-8-[[3-(trifluoromethoxy)-2-pyridinyl]methyl]pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-[4-(2-fluoro-6-methylphenyl)piperazin-1-yl]-2-methyl-8-[[3-(trifluoromethoxy)-2-pyridinyl]methyl]pyrido[2,3-d]pyrimidin-7-one is Cc1ncc2cc(N3CCN(c4c(C)cccc4F)CC3)c(=O)n(Cc3ncccc3OC(F)(F)F)c2n1.
What is the InChIKey of 6-[4-(2-fluoro-6-methylphenyl)piperazin-1-yl]-2-methyl-8-[[3-(trifluoromethoxy)-2-pyridinyl]methyl]pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is GYKSUAXOXWXKIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F4N6O2/c1-16-5-3-6-19(27)23(16)35-11-9-34(10-12-35)21-13-18-14-32-17(2)33-24(18)36(25(21)37)15-20-22(7-4-8-31-20)38-26(28,29)30/h3-8,13-14H,9-12,15H2,1-2H3.
What are the key properties of 6-[4-(2-fluoro-6-methylphenyl)piperazin-1-yl]-2-methyl-8-[[3-(trifluoromethoxy)-2-pyridinyl]methyl]pyrido[2,3-d]pyrimidin-7-one?
6-[4-(2-fluoro-6-methylphenyl)piperazin-1-yl]-2-methyl-8-[[3-(trifluoromethoxy)-2-pyridinyl]methyl]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 528.51 g/mol, XLogP of 4.22, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2-fluoro-6-methylphenyl)piperazin-1-yl]-2-methyl-8-[[3-(trifluoromethoxy)-2-pyridinyl]methyl]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 174278125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).