1-[4-(difluoromethoxy)phenyl]-3-(4-methoxyphenyl)-7-(2,2,2-trifluoroethylamino)-4H-pteridin-2-one;1-[4-(difluoromethoxy)phenyl]-3-(2-methylindazol-5-yl)-7-(2,2,2-trifluoroethylamino)-4H-pteridin-2-one;3-(2,3-dimethylbenzimidazol-5-yl)-7-propan-2-yloxy-1-[4-(trideuteriomethoxy)phenyl]-4H-pyrido[2,3-d]pyrimidin-2-one;3-(2-methylindazol-5-yl)-1-(6-methyl-3-pyridinyl)-7-(2,2,2-trifluoroethylamino)-4H-pyrimido[4,5-d]pyrimidin-2-one

C93H82F13N25O9 — CID 165091683

IUPAC1-[4-(difluoromethoxy)phenyl]-3-(4-methoxyphenyl)-7-(2,2,2-trifluoroethylamino)-4H-pteridin-2-one;1-[4-(difluoromethoxy)phenyl]-3-(2-methylindazol-5-yl)-7-(2,2,2-trifluoroethylamino)-4H-pteridin-2-one;3-(2,3-dimethylbenzimidazol-5-yl)-7-propan-2-yloxy-1-[4-(trideuteriomethoxy)phenyl]-4H-pyrido[2,3-d]pyrimidin-2-one;3-(2-methylindazol-5-yl)-1-(6-methyl-3-pyridinyl)-7-(2,2,2-trifluoroethylamino)-4H-pyrimido[4,5-d]pyrimidin-2-one
SMILESCOc1ccc(N2Cc3ncc(NCC(F)(F)F)nc3N(c3ccc(OC(F)F)cc3)C2=O)cc1.Cc1ccc(N2C(=O)N(c3ccc4nn(C)cc4c3)Cc3cnc(NCC(F)(F)F)nc32)cn1.Cn1cc2cc(N3Cc4ncc(NCC(F)(F)F)nc4N(c4ccc(OC(F)F)cc4)C3=O)ccc2n1.[2H]C([2H])([2H])Oc1ccc(N2C(=O)N(c3ccc4nc(C)n(C)c4c3)Cc3ccc(OC(C)C)nc32)cc1
InChIInChI=1S/C26H27N5O3.C23H18F5N7O2.C22H18F5N5O3.C22H19F3N8O/c1-16(2)34-24-13-6-18-15-30(20-9-12-22-23(14-20)29(4)17(3)27-22)26(32)31(25(18)28-24)19-7-10-21(33-5)11-8-19;1-33-10-13-8-15(4-7-17(13)32-33)34-11-18-20(31-19(9-29-18)30-12-23(26,27)28)35(22(34)36)14-2-5-16(6-3-14)37-21(24)25;1-34-15-6-2-13(3-7-15)31-11-17-19(30-18(10-28-17)29-12-22(25,26)27)32(21(31)33)14-4-8-16(9-5-14)35-20(23)24;1-13-3-4-17(9-26-13)33-19-15(8-27-20(29-19)28-12-22(23,24)25)11-32(21(33)34)16-5-6-18-14(7-16)10-31(2)30-18/h6-14,16H,15H2,1-5H3;2-10,21H,11-12H2,1H3,(H,30,31);2-10,20H,11-12H2,1H3,(H,29,30);3-10H,11-12H2,1-2H3,(H,27,28,29)/i5D3;;;
InChIKeyWUUKJFPIRUDLQU-CKRAVIQYSA-N
MW1943.84 g/mol
LogP20.23
Rot. Bonds23

About 1-[4-(difluoromethoxy)phenyl]-3-(4-methoxyphenyl)-7-(2,2,2-trifluoroethylamino)-4H-pteridin-2-one;1-[4-(difluoromethoxy)phenyl]-3-(2-methylindazol-5-yl)-7-(2,2,2-trifluoroethylamino)-4H-pteridin-2-one;3-(2,3-dimethylbenzimidazol-5-yl)-7-propan-2-yloxy-1-[4-(trideuteriomethoxy)phenyl]-4H-pyrido[2,3-d]pyrimidin-2-one;3-(2-methylindazol-5-yl)-1-(6-methyl-3-pyridinyl)-7-(2,2,2-trifluoroethylamino)-4H-pyrimido[4,5-d]pyrimidin-2-one

1-[4-(difluoromethoxy)phenyl]-3-(4-methoxyphenyl)-7-(2,2,2-trifluoroethylamino)-4H-pteridin-2-one;1-[4-(difluoromethoxy)phenyl]-3-(2-methylindazol-5-yl)-7-(2,2,2-trifluoroethylamino)-4H-pteridin-2-one;3-(2,3-dimethylbenzimidazol-5-yl)-7-propan-2-yloxy-1-[4-(trideuteriomethoxy)phenyl]-4H-pyrido[2,3-d]pyrimidin-2-one;3-(2-methylindazol-5-yl)-1-(6-methyl-3-pyridinyl)-7-(2,2,2-trifluoroethylamino)-4H-pyrimido[4,5-d]pyrimidin-2-one (PubChem CID 165091683) has the molecular formula C93H82F13N25O9 and a molecular weight of 1943.84 g/mol. Its IUPAC name is 1-[4-(difluoromethoxy)phenyl]-3-(4-methoxyphenyl)-7-(2,2,2-trifluoroethylamino)-4H-pteridin-2-one;1-[4-(difluoromethoxy)phenyl]-3-(2-methylindazol-5-yl)-7-(2,2,2-trifluoroethylamino)-4H-pteridin-2-one;3-(2,3-dimethylbenzimidazol-5-yl)-7-propan-2-yloxy-1-[4-(trideuteriomethoxy)phenyl]-4H-pyrido[2,3-d]pyrimidin-2-one;3-(2-methylindazol-5-yl)-1-(6-methyl-3-pyridinyl)-7-(2,2,2-trifluoroethylamino)-4H-pyrimido[4,5-d]pyrimidin-2-one.

Molecular Properties

Compound Name1-[4-(difluoromethoxy)phenyl]-3-(4-methoxyphenyl)-7-(2,2,2-trifluoroethylamino)-4H-pteridin-2-one;1-[4-(difluoromethoxy)phenyl]-3-(2-methylindazol-5-yl)-7-(2,2,2-trifluoroethylamino)-4H-pteridin-2-one;3-(2,3-dimethylbenzimidazol-5-yl)-7-propan-2-yloxy-1-[4-(trideuteriomethoxy)phenyl]-4H-pyrido[2,3-d]pyrimidin-2-one;3-(2-methylindazol-5-yl)-1-(6-methyl-3-pyridinyl)-7-(2,2,2-trifluoroethylamino)-4H-pyrimido[4,5-d]pyrimidin-2-one
PubChem CID165091683
Molecular FormulaC93H82F13N25O9
Molecular Weight1943.84 g/mol
Exact Mass1942.67
IUPAC Name1-[4-(difluoromethoxy)phenyl]-3-(4-methoxyphenyl)-7-(2,2,2-trifluoroethylamino)-4H-pteridin-2-one;1-[4-(difluoromethoxy)phenyl]-3-(2-methylindazol-5-yl)-7-(2,2,2-trifluoroethylamino)-4H-pteridin-2-one;3-(2,3-dimethylbenzimidazol-5-yl)-7-propan-2-yloxy-1-[4-(trideuteriomethoxy)phenyl]-4H-pyrido[2,3-d]pyrimidin-2-one;3-(2-methylindazol-5-yl)-1-(6-methyl-3-pyridinyl)-7-(2,2,2-trifluoroethylamino)-4H-pyrimido[4,5-d]pyrimidin-2-one
SMILESCOc1ccc(N2Cc3ncc(NCC(F)(F)F)nc3N(c3ccc(OC(F)F)cc3)C2=O)cc1.Cc1ccc(N2C(=O)N(c3ccc4nn(C)cc4c3)Cc3cnc(NCC(F)(F)F)nc32)cn1.Cn1cc2cc(N3Cc4ncc(NCC(F)(F)F)nc4N(c4ccc(OC(F)F)cc4)C3=O)ccc2n1.[2H]C([2H])([2H])Oc1ccc(N2C(=O)N(c3ccc4nc(C)n(C)c4c3)Cc3ccc(OC(C)C)nc32)cc1
InChIInChI=1S/C26H27N5O3.C23H18F5N7O2.C22H18F5N5O3.C22H19F3N8O/c1-16(2)34-24-13-6-18-15-30(20-9-12-22-23(14-20)29(4)17(3)27-22)26(32)31(25(18)28-24)19-7-10-21(33-5)11-8-19;1-33-10-13-8-15(4-7-17(13)32-33)34-11-18-20(31-19(9-29-18)30-12-23(26,27)28)35(22(34)36)14-2-5-16(6-3-14)37-21(24)25;1-34-15-6-2-13(3-7-15)31-11-17-19(30-18(10-28-17)29-12-22(25,26)27)32(21(31)33)14-4-8-16(9-5-14)35-20(23)24;1-13-3-4-17(9-26-13)33-19-15(8-27-20(29-19)28-12-22(23,24)25)11-32(21(33)34)16-5-6-18-14(7-16)10-31(2)30-18/h6-14,16H,15H2,1-5H3;2-10,21H,11-12H2,1H3,(H,30,31);2-10,20H,11-12H2,1H3,(H,29,30);3-10H,11-12H2,1-2H3,(H,27,28,29)/i5D3;;;
InChIKeyWUUKJFPIRUDLQU-CKRAVIQYSA-N
XLogP20.23
TPSA333.02 Ų
H-Bond Donors3
H-Bond Acceptors26
Rotatable Bonds23
Heavy Atoms140
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001943.84
LogP ≤ 520.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1026

Analyze 1-[4-(difluoromethoxy)phenyl]-3-(4-methoxyphenyl)-7-(2,2,2-trifluoroethylamino)-4H-pteridin-2-one;1-[4-(difluoromethoxy)phenyl]-3-(2-methylindazol-5-yl)-7-(2,2,2-trifluoroethylamino)-4H-pteridin-2-one;3-(2,3-dimethylbenzimidazol-5-yl)-7-propan-2-yloxy-1-[4-(trideuteriomethoxy)phenyl]-4H-pyrido[2,3-d]pyrimidin-2-one;3-(2-methylindazol-5-yl)-1-(6-methyl-3-pyridinyl)-7-(2,2,2-trifluoroethylamino)-4H-pyrimido[4,5-d]pyrimidin-2-one with MolForge

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Related Compounds

(E)-4,4-difluoro-8-morpholin-4-yl-N-[4-[(2-phenylmethoxy-1H-indol-5-yl)amino]pyrido[3,4-d]pyrimidin-6-yl]oct-2-enamide;(E)-N-(3-morpholin-4-ylpropyl)-N'-[4-[(2-phenylmethoxy-1H-indol-5-yl)amino]pyrido[3,4-d]pyrimidin-6-yl]but-2-enediamide
CID 144691081
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-ethoxy-3-(2-methylindazol-5-yl)-1-[2-(trifluoromethyl)pyrimidin-5-yl]-4H-pyrido[2,3-d]pyrimidin-2-one
CID 153629821
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
1-[4-(difluoromethoxy)phenyl]-3-(2-methylindazol-5-yl)-7-(2,2,2-trifluoroethylamino)-4H-pteridin-2-one
CID 153629940
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
7-(2,2-difluoroethoxy)-3-(2-methylindazol-5-yl)-1-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-4H-pyrido[2,3-d]pyrimidin-2-one
CID 154970963
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
4-N-[4-(difluoromethoxy)-3-fluorophenyl]-5-fluoro-2-(5-fluoro-2-methylpyrazolo[1,5-a]pyridin-3-yl)pyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)phenyl]-2-(2-ethyl-5-fluoropyrazolo[1,5-a]pyridin-3-yl)-5-fluoropyrimidine-4,6-diamine;2-(2-ethyl-5-fluoropyrazolo[1,5-a]pyridin-3-yl)-5-fluoro-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;5-fluoro-2-(6-fluoro-2-methylbenzimidazol-1-yl)-4-N-(3-methoxyphenyl)pyrimidine-4,6-diamine
CID 157351487

Frequently Asked Questions

What is the IUPAC name of 1-[4-(difluoromethoxy)phenyl]-3-(4-methoxyphenyl)-7-(2,2,2-trifluoroethylamino)-4H-pteridin-2-one;1-[4-(difluoromethoxy)phenyl]-3-(2-methylindazol-5-yl)-7-(2,2,2-trifluoroethylamino)-4H-pteridin-2-one;3-(2,3-dimethylbenzimidazol-5-yl)-7-propan-2-yloxy-1-[4-(trideuteriomethoxy)phenyl]-4H-pyrido[2,3-d]pyrimidin-2-one;3-(2-methylindazol-5-yl)-1-(6-methyl-3-pyridinyl)-7-(2,2,2-trifluoroethylamino)-4H-pyrimido[4,5-d]pyrimidin-2-one?
The IUPAC name of 1-[4-(difluoromethoxy)phenyl]-3-(4-methoxyphenyl)-7-(2,2,2-trifluoroethylamino)-4H-pteridin-2-one;1-[4-(difluoromethoxy)phenyl]-3-(2-methylindazol-5-yl)-7-(2,2,2-trifluoroethylamino)-4H-pteridin-2-one;3-(2,3-dimethylbenzimidazol-5-yl)-7-propan-2-yloxy-1-[4-(trideuteriomethoxy)phenyl]-4H-pyrido[2,3-d]pyrimidin-2-one;3-(2-methylindazol-5-yl)-1-(6-methyl-3-pyridinyl)-7-(2,2,2-trifluoroethylamino)-4H-pyrimido[4,5-d]pyrimidin-2-one (CID 165091683) is 1-[4-(difluoromethoxy)phenyl]-3-(4-methoxyphenyl)-7-(2,2,2-trifluoroethylamino)-4H-pteridin-2-one;1-[4-(difluoromethoxy)phenyl]-3-(2-methylindazol-5-yl)-7-(2,2,2-trifluoroethylamino)-4H-pteridin-2-one;3-(2,3-dimethylbenzimidazol-5-yl)-7-propan-2-yloxy-1-[4-(trideuteriomethoxy)phenyl]-4H-pyrido[2,3-d]pyrimidin-2-one;3-(2-methylindazol-5-yl)-1-(6-methyl-3-pyridinyl)-7-(2,2,2-trifluoroethylamino)-4H-pyrimido[4,5-d]pyrimidin-2-one.
What is the SMILES notation for 1-[4-(difluoromethoxy)phenyl]-3-(4-methoxyphenyl)-7-(2,2,2-trifluoroethylamino)-4H-pteridin-2-one;1-[4-(difluoromethoxy)phenyl]-3-(2-methylindazol-5-yl)-7-(2,2,2-trifluoroethylamino)-4H-pteridin-2-one;3-(2,3-dimethylbenzimidazol-5-yl)-7-propan-2-yloxy-1-[4-(trideuteriomethoxy)phenyl]-4H-pyrido[2,3-d]pyrimidin-2-one;3-(2-methylindazol-5-yl)-1-(6-methyl-3-pyridinyl)-7-(2,2,2-trifluoroethylamino)-4H-pyrimido[4,5-d]pyrimidin-2-one?
The canonical SMILES for 1-[4-(difluoromethoxy)phenyl]-3-(4-methoxyphenyl)-7-(2,2,2-trifluoroethylamino)-4H-pteridin-2-one;1-[4-(difluoromethoxy)phenyl]-3-(2-methylindazol-5-yl)-7-(2,2,2-trifluoroethylamino)-4H-pteridin-2-one;3-(2,3-dimethylbenzimidazol-5-yl)-7-propan-2-yloxy-1-[4-(trideuteriomethoxy)phenyl]-4H-pyrido[2,3-d]pyrimidin-2-one;3-(2-methylindazol-5-yl)-1-(6-methyl-3-pyridinyl)-7-(2,2,2-trifluoroethylamino)-4H-pyrimido[4,5-d]pyrimidin-2-one is COc1ccc(N2Cc3ncc(NCC(F)(F)F)nc3N(c3ccc(OC(F)F)cc3)C2=O)cc1.Cc1ccc(N2C(=O)N(c3ccc4nn(C)cc4c3)Cc3cnc(NCC(F)(F)F)nc32)cn1.Cn1cc2cc(N3Cc4ncc(NCC(F)(F)F)nc4N(c4ccc(OC(F)F)cc4)C3=O)ccc2n1.[2H]C([2H])([2H])Oc1ccc(N2C(=O)N(c3ccc4nc(C)n(C)c4c3)Cc3ccc(OC(C)C)nc32)cc1.
What is the InChIKey of 1-[4-(difluoromethoxy)phenyl]-3-(4-methoxyphenyl)-7-(2,2,2-trifluoroethylamino)-4H-pteridin-2-one;1-[4-(difluoromethoxy)phenyl]-3-(2-methylindazol-5-yl)-7-(2,2,2-trifluoroethylamino)-4H-pteridin-2-one;3-(2,3-dimethylbenzimidazol-5-yl)-7-propan-2-yloxy-1-[4-(trideuteriomethoxy)phenyl]-4H-pyrido[2,3-d]pyrimidin-2-one;3-(2-methylindazol-5-yl)-1-(6-methyl-3-pyridinyl)-7-(2,2,2-trifluoroethylamino)-4H-pyrimido[4,5-d]pyrimidin-2-one?
The InChIKey is WUUKJFPIRUDLQU-CKRAVIQYSA-N. The full InChI is InChI=1S/C26H27N5O3.C23H18F5N7O2.C22H18F5N5O3.C22H19F3N8O/c1-16(2)34-24-13-6-18-15-30(20-9-12-22-23(14-20)29(4)17(3)27-22)26(32)31(25(18)28-24)19-7-10-21(33-5)11-8-19;1-33-10-13-8-15(4-7-17(13)32-33)34-11-18-20(31-19(9-29-18)30-12-23(26,27)28)35(22(34)36)14-2-5-16(6-3-14)37-21(24)25;1-34-15-6-2-13(3-7-15)31-11-17-19(30-18(10-28-17)29-12-22(25,26)27)32(21(31)33)14-4-8-16(9-5-14)35-20(23)24;1-13-3-4-17(9-26-13)33-19-15(8-27-20(29-19)28-12-22(23,24)25)11-32(21(33)34)16-5-6-18-14(7-16)10-31(2)30-18/h6-14,16H,15H2,1-5H3;2-10,21H,11-12H2,1H3,(H,30,31);2-10,20H,11-12H2,1H3,(H,29,30);3-10H,11-12H2,1-2H3,(H,27,28,29)/i5D3;;;.
What are the key properties of 1-[4-(difluoromethoxy)phenyl]-3-(4-methoxyphenyl)-7-(2,2,2-trifluoroethylamino)-4H-pteridin-2-one;1-[4-(difluoromethoxy)phenyl]-3-(2-methylindazol-5-yl)-7-(2,2,2-trifluoroethylamino)-4H-pteridin-2-one;3-(2,3-dimethylbenzimidazol-5-yl)-7-propan-2-yloxy-1-[4-(trideuteriomethoxy)phenyl]-4H-pyrido[2,3-d]pyrimidin-2-one;3-(2-methylindazol-5-yl)-1-(6-methyl-3-pyridinyl)-7-(2,2,2-trifluoroethylamino)-4H-pyrimido[4,5-d]pyrimidin-2-one?
1-[4-(difluoromethoxy)phenyl]-3-(4-methoxyphenyl)-7-(2,2,2-trifluoroethylamino)-4H-pteridin-2-one;1-[4-(difluoromethoxy)phenyl]-3-(2-methylindazol-5-yl)-7-(2,2,2-trifluoroethylamino)-4H-pteridin-2-one;3-(2,3-dimethylbenzimidazol-5-yl)-7-propan-2-yloxy-1-[4-(trideuteriomethoxy)phenyl]-4H-pyrido[2,3-d]pyrimidin-2-one;3-(2-methylindazol-5-yl)-1-(6-methyl-3-pyridinyl)-7-(2,2,2-trifluoroethylamino)-4H-pyrimido[4,5-d]pyrimidin-2-one has a molecular weight of 1943.84 g/mol, XLogP of 20.23, 23 rotatable bonds, 3 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(difluoromethoxy)phenyl]-3-(4-methoxyphenyl)-7-(2,2,2-trifluoroethylamino)-4H-pteridin-2-one;1-[4-(difluoromethoxy)phenyl]-3-(2-methylindazol-5-yl)-7-(2,2,2-trifluoroethylamino)-4H-pteridin-2-one;3-(2,3-dimethylbenzimidazol-5-yl)-7-propan-2-yloxy-1-[4-(trideuteriomethoxy)phenyl]-4H-pyrido[2,3-d]pyrimidin-2-one;3-(2-methylindazol-5-yl)-1-(6-methyl-3-pyridinyl)-7-(2,2,2-trifluoroethylamino)-4H-pyrimido[4,5-d]pyrimidin-2-one is sourced from PubChem (CID 165091683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).