1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(3-methylbenzimidazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;1-[4-(difluoromethoxy)phenyl]-3-(3-methylbenzimidazol-5-yl)-7-(2,2,2-trifluoroethoxy)-4H-pyrido[2,3-d]pyrimidin-2-one;1-[4-(difluoromethoxy)phenyl]-3-(3-methylbenzimidazol-5-yl)-7-(2,2,2-trifluoroethylamino)-4H-pyrido[2,3-d]pyrimidin-2-one;1-[4-(difluoromethoxy)phenyl]-3-(2-methylindazol-5-yl)-7-(2,2,2-trifluoroethoxy)-4H-pyrido[2,3-d]pyrimidin-2-one

C96H76F17N21O11 — CID 165077665

IUPAC1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(3-methylbenzimidazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;1-[4-(difluoromethoxy)phenyl]-3-(3-methylbenzimidazol-5-yl)-7-(2,2,2-trifluoroethoxy)-4H-pyrido[2,3-d]pyrimidin-2-one;1-[4-(difluoromethoxy)phenyl]-3-(3-methylbenzimidazol-5-yl)-7-(2,2,2-trifluoroethylamino)-4H-pyrido[2,3-d]pyrimidin-2-one;1-[4-(difluoromethoxy)phenyl]-3-(2-methylindazol-5-yl)-7-(2,2,2-trifluoroethoxy)-4H-pyrido[2,3-d]pyrimidin-2-one
SMILESCCOc1ccc2c(n1)N(c1ccc(OC(F)F)cc1)C(=O)N(c1ccc3ncn(C)c3c1)C2.Cn1cc2cc(N3Cc4ccc(OCC(F)(F)F)nc4N(c4ccc(OC(F)F)cc4)C3=O)ccc2n1.Cn1cnc2ccc(N3Cc4ccc(NCC(F)(F)F)nc4N(c4ccc(OC(F)F)cc4)C3=O)cc21.Cn1cnc2ccc(N3Cc4ccc(OCC(F)(F)F)nc4N(c4ccc(OC(F)F)cc4)C3=O)cc21
InChIInChI=1S/C24H19F5N6O2.2C24H18F5N5O3.C24H21F2N5O3/c1-33-13-31-18-8-5-16(10-19(18)33)34-11-14-2-9-20(30-12-24(27,28)29)32-21(14)35(23(34)36)15-3-6-17(7-4-15)37-22(25)26;1-32-11-15-10-17(5-8-19(15)31-32)33-12-14-2-9-20(36-13-24(27,28)29)30-21(14)34(23(33)35)16-3-6-18(7-4-16)37-22(25)26;1-32-13-30-18-8-5-16(10-19(18)32)33-11-14-2-9-20(36-12-24(27,28)29)31-21(14)34(23(33)35)15-3-6-17(7-4-15)37-22(25)26;1-3-33-21-11-4-15-13-30(17-7-10-19-20(12-17)29(2)14-27-19)24(32)31(22(15)28-21)16-5-8-18(9-6-16)34-23(25)26/h2-10,13,22H,11-12H2,1H3,(H,30,32);2-11,22H,12-13H2,1H3;2-10,13,22H,11-12H2,1H3;4-12,14,23H,3,13H2,1-2H3
InChIKeyUOXWXFHCEDZSHW-UHFFFAOYSA-N
MW2022.77 g/mol
LogP22.65
Rot. Bonds24

About 1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(3-methylbenzimidazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;1-[4-(difluoromethoxy)phenyl]-3-(3-methylbenzimidazol-5-yl)-7-(2,2,2-trifluoroethoxy)-4H-pyrido[2,3-d]pyrimidin-2-one;1-[4-(difluoromethoxy)phenyl]-3-(3-methylbenzimidazol-5-yl)-7-(2,2,2-trifluoroethylamino)-4H-pyrido[2,3-d]pyrimidin-2-one;1-[4-(difluoromethoxy)phenyl]-3-(2-methylindazol-5-yl)-7-(2,2,2-trifluoroethoxy)-4H-pyrido[2,3-d]pyrimidin-2-one

1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(3-methylbenzimidazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;1-[4-(difluoromethoxy)phenyl]-3-(3-methylbenzimidazol-5-yl)-7-(2,2,2-trifluoroethoxy)-4H-pyrido[2,3-d]pyrimidin-2-one;1-[4-(difluoromethoxy)phenyl]-3-(3-methylbenzimidazol-5-yl)-7-(2,2,2-trifluoroethylamino)-4H-pyrido[2,3-d]pyrimidin-2-one;1-[4-(difluoromethoxy)phenyl]-3-(2-methylindazol-5-yl)-7-(2,2,2-trifluoroethoxy)-4H-pyrido[2,3-d]pyrimidin-2-one (PubChem CID 165077665) has the molecular formula C96H76F17N21O11 and a molecular weight of 2022.77 g/mol. Its IUPAC name is 1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(3-methylbenzimidazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;1-[4-(difluoromethoxy)phenyl]-3-(3-methylbenzimidazol-5-yl)-7-(2,2,2-trifluoroethoxy)-4H-pyrido[2,3-d]pyrimidin-2-one;1-[4-(difluoromethoxy)phenyl]-3-(3-methylbenzimidazol-5-yl)-7-(2,2,2-trifluoroethylamino)-4H-pyrido[2,3-d]pyrimidin-2-one;1-[4-(difluoromethoxy)phenyl]-3-(2-methylindazol-5-yl)-7-(2,2,2-trifluoroethoxy)-4H-pyrido[2,3-d]pyrimidin-2-one.

Molecular Properties

Compound Name1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(3-methylbenzimidazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;1-[4-(difluoromethoxy)phenyl]-3-(3-methylbenzimidazol-5-yl)-7-(2,2,2-trifluoroethoxy)-4H-pyrido[2,3-d]pyrimidin-2-one;1-[4-(difluoromethoxy)phenyl]-3-(3-methylbenzimidazol-5-yl)-7-(2,2,2-trifluoroethylamino)-4H-pyrido[2,3-d]pyrimidin-2-one;1-[4-(difluoromethoxy)phenyl]-3-(2-methylindazol-5-yl)-7-(2,2,2-trifluoroethoxy)-4H-pyrido[2,3-d]pyrimidin-2-one
PubChem CID165077665
Molecular FormulaC96H76F17N21O11
Molecular Weight2022.77 g/mol
Exact Mass2021.58
IUPAC Name1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(3-methylbenzimidazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;1-[4-(difluoromethoxy)phenyl]-3-(3-methylbenzimidazol-5-yl)-7-(2,2,2-trifluoroethoxy)-4H-pyrido[2,3-d]pyrimidin-2-one;1-[4-(difluoromethoxy)phenyl]-3-(3-methylbenzimidazol-5-yl)-7-(2,2,2-trifluoroethylamino)-4H-pyrido[2,3-d]pyrimidin-2-one;1-[4-(difluoromethoxy)phenyl]-3-(2-methylindazol-5-yl)-7-(2,2,2-trifluoroethoxy)-4H-pyrido[2,3-d]pyrimidin-2-one
SMILESCCOc1ccc2c(n1)N(c1ccc(OC(F)F)cc1)C(=O)N(c1ccc3ncn(C)c3c1)C2.Cn1cc2cc(N3Cc4ccc(OCC(F)(F)F)nc4N(c4ccc(OC(F)F)cc4)C3=O)ccc2n1.Cn1cnc2ccc(N3Cc4ccc(NCC(F)(F)F)nc4N(c4ccc(OC(F)F)cc4)C3=O)cc21.Cn1cnc2ccc(N3Cc4ccc(OCC(F)(F)F)nc4N(c4ccc(OC(F)F)cc4)C3=O)cc21
InChIInChI=1S/C24H19F5N6O2.2C24H18F5N5O3.C24H21F2N5O3/c1-33-13-31-18-8-5-16(10-19(18)33)34-11-14-2-9-20(30-12-24(27,28)29)32-21(14)35(23(34)36)15-3-6-17(7-4-15)37-22(25)26;1-32-11-15-10-17(5-8-19(15)31-32)33-12-14-2-9-20(36-13-24(27,28)29)30-21(14)34(23(33)35)16-3-6-18(7-4-16)37-22(25)26;1-32-13-30-18-8-5-16(10-19(18)32)33-11-14-2-9-20(36-12-24(27,28)29)31-21(14)34(23(33)35)15-3-6-17(7-4-15)37-22(25)26;1-3-33-21-11-4-15-13-30(17-7-10-19-20(12-17)29(2)14-27-19)24(32)31(22(15)28-21)16-5-8-18(9-6-16)34-23(25)26/h2-10,13,22H,11-12H2,1H3,(H,30,32);2-11,22H,12-13H2,1H3;2-10,13,22H,11-12H2,1H3;4-12,14,23H,3,13H2,1-2H3
InChIKeyUOXWXFHCEDZSHW-UHFFFAOYSA-N
XLogP22.65
TPSA293.68 Ų
H-Bond Donors1
H-Bond Acceptors24
Rotatable Bonds24
Heavy Atoms145
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002022.77
LogP ≤ 522.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1024

Analyze 1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(3-methylbenzimidazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;1-[4-(difluoromethoxy)phenyl]-3-(3-methylbenzimidazol-5-yl)-7-(2,2,2-trifluoroethoxy)-4H-pyrido[2,3-d]pyrimidin-2-one;1-[4-(difluoromethoxy)phenyl]-3-(3-methylbenzimidazol-5-yl)-7-(2,2,2-trifluoroethylamino)-4H-pyrido[2,3-d]pyrimidin-2-one;1-[4-(difluoromethoxy)phenyl]-3-(2-methylindazol-5-yl)-7-(2,2,2-trifluoroethoxy)-4H-pyrido[2,3-d]pyrimidin-2-one with MolForge

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Related Compounds

1-[2-Fluoro-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-[3-(4-methylimidazol-1-yl)phenyl]urea;1-[2-fluoro-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-[3-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]urea
CID 87164154
1-[2-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-(3-pyrrolidin-1-ylphenyl)urea;1-[2-fluoro-4-[[2-(1H-pyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]urea
CID 87164377
5-[6-(methylaminomethyl)pyrimidin-4-yl]oxy-N-[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]indole-1-carboxamide;5-[6-(methylaminomethyl)pyrimidin-4-yl]oxy-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]indole-1-carboxamide
CID 137374910
2-(benzimidazol-1-yl)-7-[(5S)-5-[5-(6-fluorobenzimidazol-1-yl)-2-oxo-1H-imidazo[4,5-b]pyridin-3-yl]-5-methyl-7,8-dihydro-6H-quinolin-7-yl]-9-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)purin-8-one
CID 143306686
6-[9-[[2-(benzimidazol-1-yl)-9-[(4R)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]-8-oxopurin-7-yl]-pyridin-3-ylmethyl]-2-(5-cyanobenzimidazol-1-yl)-8-oxopurin-7-yl]-3-[8-oxo-9-(1-pyridin-3-ylethyl)-7H-purin-2-yl]benzimidazole-5-carbonitrile
CID 143306723
7-(2,2-difluoroethoxy)-1-(3-methylbenzimidazol-5-yl)-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one
CID 153629778
7-(2,2-difluoroethoxy)-1-imidazo[1,2-a]pyridin-6-yl-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one
CID 153629892
7-(2,2-difluoroethoxy)-1-(1-methylbenzimidazol-5-yl)-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one
CID 153629953
1-(3H-benzimidazol-5-yl)-7-(2,2-difluoroethoxy)-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one
CID 153630026
1-(2H-benzotriazol-5-yl)-7-(2,2-difluoroethoxy)-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one
CID 154970989
3,3-difluoropiperidin-4-ol;1-ethyl-3,3-difluoropiperidin-4-ol;bis(5-(1-ethyl-3,3-difluoropiperidin-4-yl)oxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine);5-fluoro-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;methanol
CID 157087817
N-[4-(difluoromethoxy)phenyl]-6-[1,5-dimethyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazin-2-amine;6-(2,4-dimethylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-[1,5-dimethyl-3-(trifluoromethyl)pyrazol-4-yl]-N-[4-(trifluoromethoxy)phenyl]pyrazin-2-amine;5-N-(4-methoxyphenyl)-3-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrazine-2,5-diamine;6-(2-methyl-4-nitrobenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine
CID 157207523

Frequently Asked Questions

What is the IUPAC name of 1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(3-methylbenzimidazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;1-[4-(difluoromethoxy)phenyl]-3-(3-methylbenzimidazol-5-yl)-7-(2,2,2-trifluoroethoxy)-4H-pyrido[2,3-d]pyrimidin-2-one;1-[4-(difluoromethoxy)phenyl]-3-(3-methylbenzimidazol-5-yl)-7-(2,2,2-trifluoroethylamino)-4H-pyrido[2,3-d]pyrimidin-2-one;1-[4-(difluoromethoxy)phenyl]-3-(2-methylindazol-5-yl)-7-(2,2,2-trifluoroethoxy)-4H-pyrido[2,3-d]pyrimidin-2-one?
The IUPAC name of 1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(3-methylbenzimidazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;1-[4-(difluoromethoxy)phenyl]-3-(3-methylbenzimidazol-5-yl)-7-(2,2,2-trifluoroethoxy)-4H-pyrido[2,3-d]pyrimidin-2-one;1-[4-(difluoromethoxy)phenyl]-3-(3-methylbenzimidazol-5-yl)-7-(2,2,2-trifluoroethylamino)-4H-pyrido[2,3-d]pyrimidin-2-one;1-[4-(difluoromethoxy)phenyl]-3-(2-methylindazol-5-yl)-7-(2,2,2-trifluoroethoxy)-4H-pyrido[2,3-d]pyrimidin-2-one (CID 165077665) is 1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(3-methylbenzimidazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;1-[4-(difluoromethoxy)phenyl]-3-(3-methylbenzimidazol-5-yl)-7-(2,2,2-trifluoroethoxy)-4H-pyrido[2,3-d]pyrimidin-2-one;1-[4-(difluoromethoxy)phenyl]-3-(3-methylbenzimidazol-5-yl)-7-(2,2,2-trifluoroethylamino)-4H-pyrido[2,3-d]pyrimidin-2-one;1-[4-(difluoromethoxy)phenyl]-3-(2-methylindazol-5-yl)-7-(2,2,2-trifluoroethoxy)-4H-pyrido[2,3-d]pyrimidin-2-one.
What is the SMILES notation for 1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(3-methylbenzimidazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;1-[4-(difluoromethoxy)phenyl]-3-(3-methylbenzimidazol-5-yl)-7-(2,2,2-trifluoroethoxy)-4H-pyrido[2,3-d]pyrimidin-2-one;1-[4-(difluoromethoxy)phenyl]-3-(3-methylbenzimidazol-5-yl)-7-(2,2,2-trifluoroethylamino)-4H-pyrido[2,3-d]pyrimidin-2-one;1-[4-(difluoromethoxy)phenyl]-3-(2-methylindazol-5-yl)-7-(2,2,2-trifluoroethoxy)-4H-pyrido[2,3-d]pyrimidin-2-one?
The canonical SMILES for 1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(3-methylbenzimidazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;1-[4-(difluoromethoxy)phenyl]-3-(3-methylbenzimidazol-5-yl)-7-(2,2,2-trifluoroethoxy)-4H-pyrido[2,3-d]pyrimidin-2-one;1-[4-(difluoromethoxy)phenyl]-3-(3-methylbenzimidazol-5-yl)-7-(2,2,2-trifluoroethylamino)-4H-pyrido[2,3-d]pyrimidin-2-one;1-[4-(difluoromethoxy)phenyl]-3-(2-methylindazol-5-yl)-7-(2,2,2-trifluoroethoxy)-4H-pyrido[2,3-d]pyrimidin-2-one is CCOc1ccc2c(n1)N(c1ccc(OC(F)F)cc1)C(=O)N(c1ccc3ncn(C)c3c1)C2.Cn1cc2cc(N3Cc4ccc(OCC(F)(F)F)nc4N(c4ccc(OC(F)F)cc4)C3=O)ccc2n1.Cn1cnc2ccc(N3Cc4ccc(NCC(F)(F)F)nc4N(c4ccc(OC(F)F)cc4)C3=O)cc21.Cn1cnc2ccc(N3Cc4ccc(OCC(F)(F)F)nc4N(c4ccc(OC(F)F)cc4)C3=O)cc21.
What is the InChIKey of 1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(3-methylbenzimidazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;1-[4-(difluoromethoxy)phenyl]-3-(3-methylbenzimidazol-5-yl)-7-(2,2,2-trifluoroethoxy)-4H-pyrido[2,3-d]pyrimidin-2-one;1-[4-(difluoromethoxy)phenyl]-3-(3-methylbenzimidazol-5-yl)-7-(2,2,2-trifluoroethylamino)-4H-pyrido[2,3-d]pyrimidin-2-one;1-[4-(difluoromethoxy)phenyl]-3-(2-methylindazol-5-yl)-7-(2,2,2-trifluoroethoxy)-4H-pyrido[2,3-d]pyrimidin-2-one?
The InChIKey is UOXWXFHCEDZSHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F5N6O2.2C24H18F5N5O3.C24H21F2N5O3/c1-33-13-31-18-8-5-16(10-19(18)33)34-11-14-2-9-20(30-12-24(27,28)29)32-21(14)35(23(34)36)15-3-6-17(7-4-15)37-22(25)26;1-32-11-15-10-17(5-8-19(15)31-32)33-12-14-2-9-20(36-13-24(27,28)29)30-21(14)34(23(33)35)16-3-6-18(7-4-16)37-22(25)26;1-32-13-30-18-8-5-16(10-19(18)32)33-11-14-2-9-20(36-12-24(27,28)29)31-21(14)34(23(33)35)15-3-6-17(7-4-15)37-22(25)26;1-3-33-21-11-4-15-13-30(17-7-10-19-20(12-17)29(2)14-27-19)24(32)31(22(15)28-21)16-5-8-18(9-6-16)34-23(25)26/h2-10,13,22H,11-12H2,1H3,(H,30,32);2-11,22H,12-13H2,1H3;2-10,13,22H,11-12H2,1H3;4-12,14,23H,3,13H2,1-2H3.
What are the key properties of 1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(3-methylbenzimidazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;1-[4-(difluoromethoxy)phenyl]-3-(3-methylbenzimidazol-5-yl)-7-(2,2,2-trifluoroethoxy)-4H-pyrido[2,3-d]pyrimidin-2-one;1-[4-(difluoromethoxy)phenyl]-3-(3-methylbenzimidazol-5-yl)-7-(2,2,2-trifluoroethylamino)-4H-pyrido[2,3-d]pyrimidin-2-one;1-[4-(difluoromethoxy)phenyl]-3-(2-methylindazol-5-yl)-7-(2,2,2-trifluoroethoxy)-4H-pyrido[2,3-d]pyrimidin-2-one?
1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(3-methylbenzimidazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;1-[4-(difluoromethoxy)phenyl]-3-(3-methylbenzimidazol-5-yl)-7-(2,2,2-trifluoroethoxy)-4H-pyrido[2,3-d]pyrimidin-2-one;1-[4-(difluoromethoxy)phenyl]-3-(3-methylbenzimidazol-5-yl)-7-(2,2,2-trifluoroethylamino)-4H-pyrido[2,3-d]pyrimidin-2-one;1-[4-(difluoromethoxy)phenyl]-3-(2-methylindazol-5-yl)-7-(2,2,2-trifluoroethoxy)-4H-pyrido[2,3-d]pyrimidin-2-one has a molecular weight of 2022.77 g/mol, XLogP of 22.65, 24 rotatable bonds, 1 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(3-methylbenzimidazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;1-[4-(difluoromethoxy)phenyl]-3-(3-methylbenzimidazol-5-yl)-7-(2,2,2-trifluoroethoxy)-4H-pyrido[2,3-d]pyrimidin-2-one;1-[4-(difluoromethoxy)phenyl]-3-(3-methylbenzimidazol-5-yl)-7-(2,2,2-trifluoroethylamino)-4H-pyrido[2,3-d]pyrimidin-2-one;1-[4-(difluoromethoxy)phenyl]-3-(2-methylindazol-5-yl)-7-(2,2,2-trifluoroethoxy)-4H-pyrido[2,3-d]pyrimidin-2-one is sourced from PubChem (CID 165077665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).