8-(4-chlorophenyl)-6-(4-methoxyphenyl)-2-(2,2,2-trifluoroethylamino)pyrido[2,3-d]pyrimidin-7-one

C22H16ClF3N4O2 — CID 155347843

IUPAC8-(4-chlorophenyl)-6-(4-methoxyphenyl)-2-(2,2,2-trifluoroethylamino)pyrido[2,3-d]pyrimidin-7-one
SMILESCOc1ccc(-c2cc3cnc(NCC(F)(F)F)nc3n(-c3ccc(Cl)cc3)c2=O)cc1
InChIInChI=1S/C22H16ClF3N4O2/c1-32-17-8-2-13(3-9-17)18-10-14-11-27-21(28-12-22(24,25)26)29-19(14)30(20(18)31)16-6-4-15(23)5-7-16/h2-11H,12H2,1H3,(H,27,28,29)
InChIKeyXTLDRGSOLHEKJI-UHFFFAOYSA-N
MW460.84 g/mol
LogP5.08
Rot. Bonds5

About 8-(4-chlorophenyl)-6-(4-methoxyphenyl)-2-(2,2,2-trifluoroethylamino)pyrido[2,3-d]pyrimidin-7-one

8-(4-chlorophenyl)-6-(4-methoxyphenyl)-2-(2,2,2-trifluoroethylamino)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 155347843) has the molecular formula C22H16ClF3N4O2 and a molecular weight of 460.84 g/mol. Its IUPAC name is 8-(4-chlorophenyl)-6-(4-methoxyphenyl)-2-(2,2,2-trifluoroethylamino)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name8-(4-chlorophenyl)-6-(4-methoxyphenyl)-2-(2,2,2-trifluoroethylamino)pyrido[2,3-d]pyrimidin-7-one
PubChem CID155347843
Molecular FormulaC22H16ClF3N4O2
Molecular Weight460.84 g/mol
Exact Mass460.09
IUPAC Name8-(4-chlorophenyl)-6-(4-methoxyphenyl)-2-(2,2,2-trifluoroethylamino)pyrido[2,3-d]pyrimidin-7-one
SMILESCOc1ccc(-c2cc3cnc(NCC(F)(F)F)nc3n(-c3ccc(Cl)cc3)c2=O)cc1
InChIInChI=1S/C22H16ClF3N4O2/c1-32-17-8-2-13(3-9-17)18-10-14-11-27-21(28-12-22(24,25)26)29-19(14)30(20(18)31)16-6-4-15(23)5-7-16/h2-11H,12H2,1H3,(H,27,28,29)
InChIKeyXTLDRGSOLHEKJI-UHFFFAOYSA-N
XLogP5.08
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.84
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-(1,3-benzodioxol-5-yl)-8-(4-methoxyphenyl)-2-(2,2,2-trifluoroethylamino)pyrido[2,3-d]pyrimidin-7-one
CID 155347664
6-(4-methoxyphenyl)-2-(2,2,2-trifluoroethylamino)-8-[4-[1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]phenyl]pyrido[2,3-d]pyrimidin-7-one
CID 155732367
6-(6-imino-1-methanimidoyl-3-pyridinyl)-8-(4-methoxyphenyl)-2-(2,2,2-trifluoroethylamino)pyrido[2,3-d]pyrimidin-7-one;molecular hydrogen
CID 155732379
6-bromo-8-(4-methoxyphenyl)-2-(2,2,2-trifluoroethylamino)pyrido[2,3-d]pyrimidin-7-one;4-[8-(4-methoxyphenyl)-7-oxo-2-(2,2,2-trifluoroethylamino)pyrido[2,3-d]pyrimidin-6-yl]-N-methylbenzamide;[4-(methylcarbamoyl)phenyl]boronic acid
CID 167685256
8-(4-bromophenyl)-6-(4-methoxyphenyl)-2-(2,2,2-trifluoroethylamino)pyrido[2,3-d]pyrimidin-7-one;6-(4-methoxyphenyl)-8-[4-(1H-pyrazol-5-yl)phenyl]-2-(2,2,2-trifluoroethylamino)pyrido[2,3-d]pyrimidin-7-one;2H-pyrrol-3-ylboronic acid
CID 167664755
6-(3-methylbenzimidazol-5-yl)-2-(2,2,2-trifluoroethylamino)-8-[6-(trifluoromethoxy)-3-pyridinyl]pyrido[2,3-d]pyrimidin-7-one
CID 156805183
8-(4-chlorophenyl)-6-[2-(hydroxymethyl)-3-methylbenzimidazol-5-yl]-2-(2,2,2-trifluoroethylamino)pteridin-7-one
CID 166523743
1-(4-chlorophenyl)-3-(2,3-dimethylbenzimidazol-5-yl)-7-(2,2,2-trifluoroethylamino)-1,8-naphthyridin-2-one
CID 166988263
8-(4-chlorophenyl)-6-(1-methyl-6-oxo-3-pyridinyl)-2-(2,2,2-trifluoroethylamino)pyrido[4,3-d]pyrimidin-7-one
CID 155674849
8-(4-methoxyphenyl)-6-quinolin-6-yl-2-(2,2,2-trifluoroethylamino)pyrido[4,3-d]pyrimidin-7-one
CID 139552088
3-chloro-5-[4-(difluoromethoxy)phenyl]-7-(4-methoxyphenyl)pyrido[2,3-b]pyrazin-6-one
CID 155343664
1-[6-(difluoromethoxy)-3-pyridinyl]-7-ethoxy-3-(4-methoxyphenyl)-1,8-naphthyridin-2-one
CID 155347871

Frequently Asked Questions

What is the IUPAC name of 8-(4-chlorophenyl)-6-(4-methoxyphenyl)-2-(2,2,2-trifluoroethylamino)pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 8-(4-chlorophenyl)-6-(4-methoxyphenyl)-2-(2,2,2-trifluoroethylamino)pyrido[2,3-d]pyrimidin-7-one (CID 155347843) is 8-(4-chlorophenyl)-6-(4-methoxyphenyl)-2-(2,2,2-trifluoroethylamino)pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 8-(4-chlorophenyl)-6-(4-methoxyphenyl)-2-(2,2,2-trifluoroethylamino)pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 8-(4-chlorophenyl)-6-(4-methoxyphenyl)-2-(2,2,2-trifluoroethylamino)pyrido[2,3-d]pyrimidin-7-one is COc1ccc(-c2cc3cnc(NCC(F)(F)F)nc3n(-c3ccc(Cl)cc3)c2=O)cc1.
What is the InChIKey of 8-(4-chlorophenyl)-6-(4-methoxyphenyl)-2-(2,2,2-trifluoroethylamino)pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is XTLDRGSOLHEKJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClF3N4O2/c1-32-17-8-2-13(3-9-17)18-10-14-11-27-21(28-12-22(24,25)26)29-19(14)30(20(18)31)16-6-4-15(23)5-7-16/h2-11H,12H2,1H3,(H,27,28,29).
What are the key properties of 8-(4-chlorophenyl)-6-(4-methoxyphenyl)-2-(2,2,2-trifluoroethylamino)pyrido[2,3-d]pyrimidin-7-one?
8-(4-chlorophenyl)-6-(4-methoxyphenyl)-2-(2,2,2-trifluoroethylamino)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 460.84 g/mol, XLogP of 5.08, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-chlorophenyl)-6-(4-methoxyphenyl)-2-(2,2,2-trifluoroethylamino)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 155347843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).