7-(2,2-difluoroethoxy)-1-(1H-indazol-5-yl)-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;1-[4-(difluoromethoxy)phenyl]-3-(2,3-dimethylbenzimidazol-5-yl)-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-pyrido[2,3-d]pyrimidin-2-one;1-[4-(trideuteriomethoxy)phenyl]-3-[2-(trideuteriomethyl)indazol-5-yl]-7-(2,2,2-trifluoroethylamino)-4H-pyrimido[4,5-d]pyrimidin-2-one

C94H78F15N25O9 — CID 164990171

IUPAC7-(2,2-difluoroethoxy)-1-(1H-indazol-5-yl)-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;1-[4-(difluoromethoxy)phenyl]-3-(2,3-dimethylbenzimidazol-5-yl)-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-pyrido[2,3-d]pyrimidin-2-one;1-[4-(trideuteriomethoxy)phenyl]-3-[2-(trideuteriomethyl)indazol-5-yl]-7-(2,2,2-trifluoroethylamino)-4H-pyrimido[4,5-d]pyrimidin-2-one
SMILESCOc1ccc(N2Cc3ccc(NCC(F)(F)F)nc3N(c3ccc(OC(F)F)cc3)C2=O)cc1.Cc1nc2ccc(N3Cc4cnc(NCC(F)(F)F)nc4N(c4ccc(OC(F)F)cc4)C3=O)cc2n1C.Cn1cc2cc(N3Cc4ccc(OCC(F)F)nc4N(c4ccc5[nH]ncc5c4)C3=O)ccc2n1.[2H]C([2H])([2H])Oc1ccc(N2C(=O)N(c3ccc4nn(C([2H])([2H])[2H])cc4c3)Cc3cnc(NCC(F)(F)F)nc32)cc1
InChIInChI=1S/C24H20F5N7O2.C24H19F2N7O2.C23H19F5N4O3.C23H20F3N7O2/c1-13-32-18-8-5-16(9-19(18)34(13)2)35-11-14-10-30-22(31-12-24(27,28)29)33-20(14)36(23(35)37)15-3-6-17(7-4-15)38-21(25)26;1-31-11-16-9-17(3-6-20(16)30-31)32-12-14-2-7-22(35-13-21(25)26)28-23(14)33(24(32)34)18-4-5-19-15(8-18)10-27-29-19;1-34-17-7-3-15(4-8-17)31-12-14-2-11-19(29-13-23(26,27)28)30-20(14)32(22(31)33)16-5-9-18(10-6-16)35-21(24)25;1-31-11-14-9-17(5-8-19(14)30-31)32-12-15-10-27-21(28-13-23(24,25)26)29-20(15)33(22(32)34)16-3-6-18(35-2)7-4-16/h3-10,21H,11-12H2,1-2H3,(H,30,31,33);2-11,21H,12-13H2,1H3,(H,27,29);2-11,21H,12-13H2,1H3,(H,29,30);3-11H,12-13H2,1-2H3,(H,27,28,29)/i;;;1D3,2D3
InChIKeyGSXUWYYHVNDIGO-FEEBHIPOSA-N
MW1992.83 g/mol
LogP20.86
Rot. Bonds25

About 7-(2,2-difluoroethoxy)-1-(1H-indazol-5-yl)-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;1-[4-(difluoromethoxy)phenyl]-3-(2,3-dimethylbenzimidazol-5-yl)-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-pyrido[2,3-d]pyrimidin-2-one;1-[4-(trideuteriomethoxy)phenyl]-3-[2-(trideuteriomethyl)indazol-5-yl]-7-(2,2,2-trifluoroethylamino)-4H-pyrimido[4,5-d]pyrimidin-2-one

7-(2,2-difluoroethoxy)-1-(1H-indazol-5-yl)-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;1-[4-(difluoromethoxy)phenyl]-3-(2,3-dimethylbenzimidazol-5-yl)-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-pyrido[2,3-d]pyrimidin-2-one;1-[4-(trideuteriomethoxy)phenyl]-3-[2-(trideuteriomethyl)indazol-5-yl]-7-(2,2,2-trifluoroethylamino)-4H-pyrimido[4,5-d]pyrimidin-2-one (PubChem CID 164990171) has the molecular formula C94H78F15N25O9 and a molecular weight of 1992.83 g/mol. Its IUPAC name is 7-(2,2-difluoroethoxy)-1-(1H-indazol-5-yl)-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;1-[4-(difluoromethoxy)phenyl]-3-(2,3-dimethylbenzimidazol-5-yl)-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-pyrido[2,3-d]pyrimidin-2-one;1-[4-(trideuteriomethoxy)phenyl]-3-[2-(trideuteriomethyl)indazol-5-yl]-7-(2,2,2-trifluoroethylamino)-4H-pyrimido[4,5-d]pyrimidin-2-one.

Molecular Properties

Compound Name7-(2,2-difluoroethoxy)-1-(1H-indazol-5-yl)-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;1-[4-(difluoromethoxy)phenyl]-3-(2,3-dimethylbenzimidazol-5-yl)-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-pyrido[2,3-d]pyrimidin-2-one;1-[4-(trideuteriomethoxy)phenyl]-3-[2-(trideuteriomethyl)indazol-5-yl]-7-(2,2,2-trifluoroethylamino)-4H-pyrimido[4,5-d]pyrimidin-2-one
PubChem CID164990171
Molecular FormulaC94H78F15N25O9
Molecular Weight1992.83 g/mol
Exact Mass1991.66
IUPAC Name7-(2,2-difluoroethoxy)-1-(1H-indazol-5-yl)-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;1-[4-(difluoromethoxy)phenyl]-3-(2,3-dimethylbenzimidazol-5-yl)-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-pyrido[2,3-d]pyrimidin-2-one;1-[4-(trideuteriomethoxy)phenyl]-3-[2-(trideuteriomethyl)indazol-5-yl]-7-(2,2,2-trifluoroethylamino)-4H-pyrimido[4,5-d]pyrimidin-2-one
SMILESCOc1ccc(N2Cc3ccc(NCC(F)(F)F)nc3N(c3ccc(OC(F)F)cc3)C2=O)cc1.Cc1nc2ccc(N3Cc4cnc(NCC(F)(F)F)nc4N(c4ccc(OC(F)F)cc4)C3=O)cc2n1C.Cn1cc2cc(N3Cc4ccc(OCC(F)F)nc4N(c4ccc5[nH]ncc5c4)C3=O)ccc2n1.[2H]C([2H])([2H])Oc1ccc(N2C(=O)N(c3ccc4nn(C([2H])([2H])[2H])cc4c3)Cc3cnc(NCC(F)(F)F)nc32)cc1
InChIInChI=1S/C24H20F5N7O2.C24H19F2N7O2.C23H19F5N4O3.C23H20F3N7O2/c1-13-32-18-8-5-16(9-19(18)34(13)2)35-11-14-10-30-22(31-12-24(27,28)29)33-20(14)36(23(35)37)15-3-6-17(7-4-15)38-21(25)26;1-31-11-16-9-17(3-6-20(16)30-31)32-12-14-2-7-22(35-13-21(25)26)28-23(14)33(24(32)34)18-4-5-19-15(8-18)10-27-29-19;1-34-17-7-3-15(4-8-17)31-12-14-2-11-19(29-13-23(26,27)28)30-20(14)32(22(31)33)16-5-9-18(10-6-16)35-21(24)25;1-31-11-14-9-17(5-8-19(14)30-31)32-12-15-10-27-21(28-13-23(24,25)26)29-20(15)33(22(32)34)16-3-6-18(35-2)7-4-16/h3-10,21H,11-12H2,1-2H3,(H,30,31,33);2-11,21H,12-13H2,1H3,(H,27,29);2-11,21H,12-13H2,1H3,(H,29,30);3-11H,12-13H2,1-2H3,(H,27,28,29)/i;;;1D3,2D3
InChIKeyGSXUWYYHVNDIGO-FEEBHIPOSA-N
XLogP20.86
TPSA335.92 Ų
H-Bond Donors4
H-Bond Acceptors25
Rotatable Bonds25
Heavy Atoms143
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001992.83
LogP ≤ 520.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1025

Analyze 7-(2,2-difluoroethoxy)-1-(1H-indazol-5-yl)-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;1-[4-(difluoromethoxy)phenyl]-3-(2,3-dimethylbenzimidazol-5-yl)-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-pyrido[2,3-d]pyrimidin-2-one;1-[4-(trideuteriomethoxy)phenyl]-3-[2-(trideuteriomethyl)indazol-5-yl]-7-(2,2,2-trifluoroethylamino)-4H-pyrimido[4,5-d]pyrimidin-2-one with MolForge

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Related Compounds

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
1-[2-fluoro-N-[[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]carbamoyl]-4-[[2-(1H-pyrazol-4-yl)-4-pyridinyl]oxy]anilino]-1-[2-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-(3-pyrrolidin-1-ylphenyl)urea
CID 87164378
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-(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
2-[3-[6-[4-[2-[3-[6-[2-[[2-[3-[5-fluoro-4-(1H-indazol-5-ylamino)pyrrolo[2,1-f][1,2,4]triazin-2-yl]phenoxy]acetyl]amino]propyl]-4-(1H-indazol-5-ylamino)pyrrolo[2,1-f][1,2,4]triazin-2-yl]phenoxy]acetyl]morpholin-2-yl]-4-[4-(1H-pyrazol-4-yl)anilino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]phenoxy]-N-propan-2-ylacetamide
CID 155227879
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
(2S)-1-benzyl-5,5-difluoro-2-methylpiperidin-4-ol;(2S)-5,5-difluoro-1,2-dimethylpiperidin-4-ol;5-[(2R,4R)-5,5-difluoro-1,2-dimethylpiperidin-4-yl]oxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;5-[(2S,4S)-5,5-difluoro-1,2-dimethylpiperidin-4-yl]oxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;5-(5,5-difluoro-1,2-dimethylpiperidin-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
CID 157525949
4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N,N-dimethylpyrimidine-5-carboxamide;4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N,N-dimethyl-6-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]pyrimidine-5-carboxamide;4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N,N-dimethyl-6-[[6-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]amino]pyrimidine-5-carboxamide;4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N,N-dimethyl-6-[[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]amino]pyrimidine-5-carboxamide
CID 157590526
tert-butyl N-cyclohexyl-N-[3-[(2-methylpropan-2-yl)oxycarbonyl-[3-[4-[[[4-(piperidin-4-ylamino)quinazolin-2-yl]amino]methyl]triazol-1-yl]propyl]amino]propyl]carbamate;tert-butyl N-cyclohexyl-N-[3-[(2-methylpropan-2-yl)oxycarbonyl-[3-[4-[[[4-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]quinazolin-2-yl]amino]methyl]triazol-1-yl]propyl]amino]propyl]carbamate;tert-butyl N-cyclohexyl-N-[3-[(2-methylpropan-2-yl)oxycarbonyl-[3-[4-[[[4-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]amino]quinazolin-2-yl]amino]methyl]triazol-1-yl]propyl]amino]propyl]carbamate;2-N-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methyl]-4-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]quinazoline-2,4-diamine;methane;2-methoxypyridine
CID 157831674

Frequently Asked Questions

What is the IUPAC name of 7-(2,2-difluoroethoxy)-1-(1H-indazol-5-yl)-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;1-[4-(difluoromethoxy)phenyl]-3-(2,3-dimethylbenzimidazol-5-yl)-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-pyrido[2,3-d]pyrimidin-2-one;1-[4-(trideuteriomethoxy)phenyl]-3-[2-(trideuteriomethyl)indazol-5-yl]-7-(2,2,2-trifluoroethylamino)-4H-pyrimido[4,5-d]pyrimidin-2-one?
The IUPAC name of 7-(2,2-difluoroethoxy)-1-(1H-indazol-5-yl)-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;1-[4-(difluoromethoxy)phenyl]-3-(2,3-dimethylbenzimidazol-5-yl)-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-pyrido[2,3-d]pyrimidin-2-one;1-[4-(trideuteriomethoxy)phenyl]-3-[2-(trideuteriomethyl)indazol-5-yl]-7-(2,2,2-trifluoroethylamino)-4H-pyrimido[4,5-d]pyrimidin-2-one (CID 164990171) is 7-(2,2-difluoroethoxy)-1-(1H-indazol-5-yl)-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;1-[4-(difluoromethoxy)phenyl]-3-(2,3-dimethylbenzimidazol-5-yl)-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-pyrido[2,3-d]pyrimidin-2-one;1-[4-(trideuteriomethoxy)phenyl]-3-[2-(trideuteriomethyl)indazol-5-yl]-7-(2,2,2-trifluoroethylamino)-4H-pyrimido[4,5-d]pyrimidin-2-one.
What is the SMILES notation for 7-(2,2-difluoroethoxy)-1-(1H-indazol-5-yl)-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;1-[4-(difluoromethoxy)phenyl]-3-(2,3-dimethylbenzimidazol-5-yl)-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-pyrido[2,3-d]pyrimidin-2-one;1-[4-(trideuteriomethoxy)phenyl]-3-[2-(trideuteriomethyl)indazol-5-yl]-7-(2,2,2-trifluoroethylamino)-4H-pyrimido[4,5-d]pyrimidin-2-one?
The canonical SMILES for 7-(2,2-difluoroethoxy)-1-(1H-indazol-5-yl)-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;1-[4-(difluoromethoxy)phenyl]-3-(2,3-dimethylbenzimidazol-5-yl)-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-pyrido[2,3-d]pyrimidin-2-one;1-[4-(trideuteriomethoxy)phenyl]-3-[2-(trideuteriomethyl)indazol-5-yl]-7-(2,2,2-trifluoroethylamino)-4H-pyrimido[4,5-d]pyrimidin-2-one is COc1ccc(N2Cc3ccc(NCC(F)(F)F)nc3N(c3ccc(OC(F)F)cc3)C2=O)cc1.Cc1nc2ccc(N3Cc4cnc(NCC(F)(F)F)nc4N(c4ccc(OC(F)F)cc4)C3=O)cc2n1C.Cn1cc2cc(N3Cc4ccc(OCC(F)F)nc4N(c4ccc5[nH]ncc5c4)C3=O)ccc2n1.[2H]C([2H])([2H])Oc1ccc(N2C(=O)N(c3ccc4nn(C([2H])([2H])[2H])cc4c3)Cc3cnc(NCC(F)(F)F)nc32)cc1.
What is the InChIKey of 7-(2,2-difluoroethoxy)-1-(1H-indazol-5-yl)-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;1-[4-(difluoromethoxy)phenyl]-3-(2,3-dimethylbenzimidazol-5-yl)-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-pyrido[2,3-d]pyrimidin-2-one;1-[4-(trideuteriomethoxy)phenyl]-3-[2-(trideuteriomethyl)indazol-5-yl]-7-(2,2,2-trifluoroethylamino)-4H-pyrimido[4,5-d]pyrimidin-2-one?
The InChIKey is GSXUWYYHVNDIGO-FEEBHIPOSA-N. The full InChI is InChI=1S/C24H20F5N7O2.C24H19F2N7O2.C23H19F5N4O3.C23H20F3N7O2/c1-13-32-18-8-5-16(9-19(18)34(13)2)35-11-14-10-30-22(31-12-24(27,28)29)33-20(14)36(23(35)37)15-3-6-17(7-4-15)38-21(25)26;1-31-11-16-9-17(3-6-20(16)30-31)32-12-14-2-7-22(35-13-21(25)26)28-23(14)33(24(32)34)18-4-5-19-15(8-18)10-27-29-19;1-34-17-7-3-15(4-8-17)31-12-14-2-11-19(29-13-23(26,27)28)30-20(14)32(22(31)33)16-5-9-18(10-6-16)35-21(24)25;1-31-11-14-9-17(5-8-19(14)30-31)32-12-15-10-27-21(28-13-23(24,25)26)29-20(15)33(22(32)34)16-3-6-18(35-2)7-4-16/h3-10,21H,11-12H2,1-2H3,(H,30,31,33);2-11,21H,12-13H2,1H3,(H,27,29);2-11,21H,12-13H2,1H3,(H,29,30);3-11H,12-13H2,1-2H3,(H,27,28,29)/i;;;1D3,2D3.
What are the key properties of 7-(2,2-difluoroethoxy)-1-(1H-indazol-5-yl)-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;1-[4-(difluoromethoxy)phenyl]-3-(2,3-dimethylbenzimidazol-5-yl)-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-pyrido[2,3-d]pyrimidin-2-one;1-[4-(trideuteriomethoxy)phenyl]-3-[2-(trideuteriomethyl)indazol-5-yl]-7-(2,2,2-trifluoroethylamino)-4H-pyrimido[4,5-d]pyrimidin-2-one?
7-(2,2-difluoroethoxy)-1-(1H-indazol-5-yl)-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;1-[4-(difluoromethoxy)phenyl]-3-(2,3-dimethylbenzimidazol-5-yl)-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-pyrido[2,3-d]pyrimidin-2-one;1-[4-(trideuteriomethoxy)phenyl]-3-[2-(trideuteriomethyl)indazol-5-yl]-7-(2,2,2-trifluoroethylamino)-4H-pyrimido[4,5-d]pyrimidin-2-one has a molecular weight of 1992.83 g/mol, XLogP of 20.86, 25 rotatable bonds, 4 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,2-difluoroethoxy)-1-(1H-indazol-5-yl)-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;1-[4-(difluoromethoxy)phenyl]-3-(2,3-dimethylbenzimidazol-5-yl)-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-pyrido[2,3-d]pyrimidin-2-one;1-[4-(trideuteriomethoxy)phenyl]-3-[2-(trideuteriomethyl)indazol-5-yl]-7-(2,2,2-trifluoroethylamino)-4H-pyrimido[4,5-d]pyrimidin-2-one is sourced from PubChem (CID 164990171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).