6-(2,6-dichlorophenyl)-2-[[6-(1-ethylpyrazol-3-yl)oxy-5-(trifluoromethyl)-3-pyridinyl]amino]-8-methylpyrido[2,3-d]pyrimidin-7-one

C25H18Cl2F3N7O2 — CID 169188543

IUPAC6-(2,6-dichlorophenyl)-2-[[6-(1-ethylpyrazol-3-yl)oxy-5-(trifluoromethyl)-3-pyridinyl]amino]-8-methylpyrido[2,3-d]pyrimidin-7-one
SMILESCCn1ccc(Oc2ncc(Nc3ncc4cc(-c5c(Cl)cccc5Cl)c(=O)n(C)c4n3)cc2C(F)(F)F)n1
InChIInChI=1S/C25H18Cl2F3N7O2/c1-3-37-8-7-19(35-37)39-22-16(25(28,29)30)10-14(12-31-22)33-24-32-11-13-9-15(23(38)36(2)21(13)34-24)20-17(26)5-4-6-18(20)27/h4-12H,3H2,1-2H3,(H,32,33,34)
InChIKeyWOASIWBCUVINNP-UHFFFAOYSA-N
MW576.37 g/mol
LogP6.47
Rot. Bonds6

About 6-(2,6-dichlorophenyl)-2-[[6-(1-ethylpyrazol-3-yl)oxy-5-(trifluoromethyl)-3-pyridinyl]amino]-8-methylpyrido[2,3-d]pyrimidin-7-one

6-(2,6-dichlorophenyl)-2-[[6-(1-ethylpyrazol-3-yl)oxy-5-(trifluoromethyl)-3-pyridinyl]amino]-8-methylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 169188543) has the molecular formula C25H18Cl2F3N7O2 and a molecular weight of 576.37 g/mol. Its IUPAC name is 6-(2,6-dichlorophenyl)-2-[[6-(1-ethylpyrazol-3-yl)oxy-5-(trifluoromethyl)-3-pyridinyl]amino]-8-methylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-(2,6-dichlorophenyl)-2-[[6-(1-ethylpyrazol-3-yl)oxy-5-(trifluoromethyl)-3-pyridinyl]amino]-8-methylpyrido[2,3-d]pyrimidin-7-one
PubChem CID169188543
Molecular FormulaC25H18Cl2F3N7O2
Molecular Weight576.37 g/mol
Exact Mass575.09
IUPAC Name6-(2,6-dichlorophenyl)-2-[[6-(1-ethylpyrazol-3-yl)oxy-5-(trifluoromethyl)-3-pyridinyl]amino]-8-methylpyrido[2,3-d]pyrimidin-7-one
SMILESCCn1ccc(Oc2ncc(Nc3ncc4cc(-c5c(Cl)cccc5Cl)c(=O)n(C)c4n3)cc2C(F)(F)F)n1
InChIInChI=1S/C25H18Cl2F3N7O2/c1-3-37-8-7-19(35-37)39-22-16(25(28,29)30)10-14(12-31-22)33-24-32-11-13-9-15(23(38)36(2)21(13)34-24)20-17(26)5-4-6-18(20)27/h4-12H,3H2,1-2H3,(H,32,33,34)
InChIKeyWOASIWBCUVINNP-UHFFFAOYSA-N
XLogP6.47
TPSA99.75 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.37
LogP ≤ 56.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 6-(2,6-dichlorophenyl)-2-[[6-(1-ethylpyrazol-3-yl)oxy-5-(trifluoromethyl)-3-pyridinyl]amino]-8-methylpyrido[2,3-d]pyrimidin-7-one with MolForge

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Related Compounds

6-(2,6-dichlorophenyl)-2-[[6-(1-ethylpyrazol-3-yl)oxy-5-fluoro-3-pyridinyl]amino]-8-methylpyrido[2,3-d]pyrimidin-7-one
CID 169188478
6-(2,6-dichlorophenyl)-2-(4-hydroxyanilino)-8-methylpyrido[2,3-d]pyrimidin-7-one;ethane
CID 142923567
6-(2,6-dichlorophenyl)-2-[3-(ethoxymethyl)anilino]-8-methylpyrido[2,3-d]pyrimidin-7-one
CID 142857829
6-(2,6-dichlorophenyl)-2-[4-[2-[ethyl(methyl)amino]ethoxy]anilino]-8-methylpyrido[2,3-d]pyrimidin-7-one
CID 167312582
6-(2,6-dichlorophenyl)-2-[3-(1-hydroxyethyl)anilino]-8-methylpyrido[2,3-d]pyrimidin-7-one
CID 53348083
6-(2,6-dichlorophenyl)-8-methyl-2-(4-methylsulfonylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 135381980
2-[[5-(aminomethyl)-6-[(4,5-diethyl-1H-pyrazol-3-yl)oxy]-3-pyridinyl]amino]-6-(2,6-dichlorophenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one
CID 175951432
2-[4-[(E)-2-aminoethenoxy]anilino]-6-(2,6-dichlorophenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one
CID 90369679
6-(2,6-dichlorophenyl)-8-ethyl-2-(pyridin-4-ylamino)pyrido[2,3-d]pyrimidin-7-one
CID 5327890
2-anilino-6-(2-chlorophenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one
CID 141354763
2-[3-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethylsulfanyl]anilino]-6-(2,6-dichlorophenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one
CID 58478361
6-(2,6-dichlorophenyl)-8-methyl-2-[4-(4-methylpiperazine-1-carbonyl)anilino]pyrido[2,3-d]pyrimidin-7-one
CID 10006987

Frequently Asked Questions

What is the IUPAC name of 6-(2,6-dichlorophenyl)-2-[[6-(1-ethylpyrazol-3-yl)oxy-5-(trifluoromethyl)-3-pyridinyl]amino]-8-methylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-(2,6-dichlorophenyl)-2-[[6-(1-ethylpyrazol-3-yl)oxy-5-(trifluoromethyl)-3-pyridinyl]amino]-8-methylpyrido[2,3-d]pyrimidin-7-one (CID 169188543) is 6-(2,6-dichlorophenyl)-2-[[6-(1-ethylpyrazol-3-yl)oxy-5-(trifluoromethyl)-3-pyridinyl]amino]-8-methylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-(2,6-dichlorophenyl)-2-[[6-(1-ethylpyrazol-3-yl)oxy-5-(trifluoromethyl)-3-pyridinyl]amino]-8-methylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-(2,6-dichlorophenyl)-2-[[6-(1-ethylpyrazol-3-yl)oxy-5-(trifluoromethyl)-3-pyridinyl]amino]-8-methylpyrido[2,3-d]pyrimidin-7-one is CCn1ccc(Oc2ncc(Nc3ncc4cc(-c5c(Cl)cccc5Cl)c(=O)n(C)c4n3)cc2C(F)(F)F)n1.
What is the InChIKey of 6-(2,6-dichlorophenyl)-2-[[6-(1-ethylpyrazol-3-yl)oxy-5-(trifluoromethyl)-3-pyridinyl]amino]-8-methylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is WOASIWBCUVINNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18Cl2F3N7O2/c1-3-37-8-7-19(35-37)39-22-16(25(28,29)30)10-14(12-31-22)33-24-32-11-13-9-15(23(38)36(2)21(13)34-24)20-17(26)5-4-6-18(20)27/h4-12H,3H2,1-2H3,(H,32,33,34).
What are the key properties of 6-(2,6-dichlorophenyl)-2-[[6-(1-ethylpyrazol-3-yl)oxy-5-(trifluoromethyl)-3-pyridinyl]amino]-8-methylpyrido[2,3-d]pyrimidin-7-one?
6-(2,6-dichlorophenyl)-2-[[6-(1-ethylpyrazol-3-yl)oxy-5-(trifluoromethyl)-3-pyridinyl]amino]-8-methylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 576.37 g/mol, XLogP of 6.47, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-dichlorophenyl)-2-[[6-(1-ethylpyrazol-3-yl)oxy-5-(trifluoromethyl)-3-pyridinyl]amino]-8-methylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 169188543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).