1-(2-amino-1,3-benzoxazol-5-yl)-7-(2,2-difluoroethoxy)-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;1-(4-chlorophenyl)-7-ethoxy-3-(2-methylindazol-5-yl)-4H-pteridin-2-one;7-(2,2-difluoroethoxy)-3-(2-methoxy-3-methylbenzimidazol-5-yl)-1-[4-(trideuteriomethoxy)phenyl]-4H-pyrido[2,3-d]pyrimidin-2-one;5-(methylamino)-3-(2-methylindazol-5-yl)-1-[4-(trideuteriomethoxy)phenyl]-7-(2,2,2-trifluoroethylamino)-4H-pyrimido[4,5-d]pyrimidin-2-one

C95H84ClF7N26O11 — CID 164957739

IUPAC1-(2-amino-1,3-benzoxazol-5-yl)-7-(2,2-difluoroethoxy)-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;1-(4-chlorophenyl)-7-ethoxy-3-(2-methylindazol-5-yl)-4H-pteridin-2-one;7-(2,2-difluoroethoxy)-3-(2-methoxy-3-methylbenzimidazol-5-yl)-1-[4-(trideuteriomethoxy)phenyl]-4H-pyrido[2,3-d]pyrimidin-2-one;5-(methylamino)-3-(2-methylindazol-5-yl)-1-[4-(trideuteriomethoxy)phenyl]-7-(2,2,2-trifluoroethylamino)-4H-pyrimido[4,5-d]pyrimidin-2-one
SMILESCCOc1cnc2c(n1)N(c1ccc(Cl)cc1)C(=O)N(c1ccc3nn(C)cc3c1)C2.Cn1cc2cc(N3Cc4ccc(OCC(F)F)nc4N(c4ccc5oc(N)nc5c4)C3=O)ccc2n1.[2H]C([2H])([2H])Oc1ccc(N2C(=O)N(c3ccc4nc(OC)n(C)c4c3)Cc3ccc(OCC(F)F)nc32)cc1.[2H]C([2H])([2H])Oc1ccc(N2C(=O)N(c3ccc4nn(C)cc4c3)Cc3c(NC)nc(NCC(F)(F)F)nc32)cc1
InChIInChI=1S/C25H23F2N5O4.C24H23F3N8O2.C24H19F2N7O3.C22H19ClN6O2/c1-30-20-12-17(7-10-19(20)28-24(30)35-3)31-13-15-4-11-22(36-14-21(26)27)29-23(15)32(25(31)33)16-5-8-18(34-2)9-6-16;1-28-20-18-12-34(16-6-9-19-14(10-16)11-33(2)32-19)23(36)35(15-4-7-17(37-3)8-5-15)21(18)31-22(30-20)29-13-24(25,26)27;1-31-10-14-8-15(3-5-17(14)30-31)32-11-13-2-7-21(35-12-20(25)26)29-22(13)33(24(32)34)16-4-6-19-18(9-16)28-23(27)36-19;1-3-31-20-11-24-19-13-28(17-8-9-18-14(10-17)12-27(2)26-18)22(30)29(21(19)25-20)16-6-4-15(23)5-7-16/h4-12,21H,13-14H2,1-3H3;4-11H,12-13H2,1-3H3,(H2,28,29,30,31);2-10,20H,11-12H2,1H3,(H2,27,28);4-12H,3,13H2,1-2H3/i2D3;3D3;;
InChIKeyBKDVFNQYXPOOLD-OEKRMKEFSA-N
MW1940.36 g/mol
LogP18.88
Rot. Bonds24

About 1-(2-amino-1,3-benzoxazol-5-yl)-7-(2,2-difluoroethoxy)-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;1-(4-chlorophenyl)-7-ethoxy-3-(2-methylindazol-5-yl)-4H-pteridin-2-one;7-(2,2-difluoroethoxy)-3-(2-methoxy-3-methylbenzimidazol-5-yl)-1-[4-(trideuteriomethoxy)phenyl]-4H-pyrido[2,3-d]pyrimidin-2-one;5-(methylamino)-3-(2-methylindazol-5-yl)-1-[4-(trideuteriomethoxy)phenyl]-7-(2,2,2-trifluoroethylamino)-4H-pyrimido[4,5-d]pyrimidin-2-one

1-(2-amino-1,3-benzoxazol-5-yl)-7-(2,2-difluoroethoxy)-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;1-(4-chlorophenyl)-7-ethoxy-3-(2-methylindazol-5-yl)-4H-pteridin-2-one;7-(2,2-difluoroethoxy)-3-(2-methoxy-3-methylbenzimidazol-5-yl)-1-[4-(trideuteriomethoxy)phenyl]-4H-pyrido[2,3-d]pyrimidin-2-one;5-(methylamino)-3-(2-methylindazol-5-yl)-1-[4-(trideuteriomethoxy)phenyl]-7-(2,2,2-trifluoroethylamino)-4H-pyrimido[4,5-d]pyrimidin-2-one (PubChem CID 164957739) has the molecular formula C95H84ClF7N26O11 and a molecular weight of 1940.36 g/mol. Its IUPAC name is 1-(2-amino-1,3-benzoxazol-5-yl)-7-(2,2-difluoroethoxy)-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;1-(4-chlorophenyl)-7-ethoxy-3-(2-methylindazol-5-yl)-4H-pteridin-2-one;7-(2,2-difluoroethoxy)-3-(2-methoxy-3-methylbenzimidazol-5-yl)-1-[4-(trideuteriomethoxy)phenyl]-4H-pyrido[2,3-d]pyrimidin-2-one;5-(methylamino)-3-(2-methylindazol-5-yl)-1-[4-(trideuteriomethoxy)phenyl]-7-(2,2,2-trifluoroethylamino)-4H-pyrimido[4,5-d]pyrimidin-2-one.

Molecular Properties

Compound Name1-(2-amino-1,3-benzoxazol-5-yl)-7-(2,2-difluoroethoxy)-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;1-(4-chlorophenyl)-7-ethoxy-3-(2-methylindazol-5-yl)-4H-pteridin-2-one;7-(2,2-difluoroethoxy)-3-(2-methoxy-3-methylbenzimidazol-5-yl)-1-[4-(trideuteriomethoxy)phenyl]-4H-pyrido[2,3-d]pyrimidin-2-one;5-(methylamino)-3-(2-methylindazol-5-yl)-1-[4-(trideuteriomethoxy)phenyl]-7-(2,2,2-trifluoroethylamino)-4H-pyrimido[4,5-d]pyrimidin-2-one
PubChem CID164957739
Molecular FormulaC95H84ClF7N26O11
Molecular Weight1940.36 g/mol
Exact Mass1938.68
IUPAC Name1-(2-amino-1,3-benzoxazol-5-yl)-7-(2,2-difluoroethoxy)-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;1-(4-chlorophenyl)-7-ethoxy-3-(2-methylindazol-5-yl)-4H-pteridin-2-one;7-(2,2-difluoroethoxy)-3-(2-methoxy-3-methylbenzimidazol-5-yl)-1-[4-(trideuteriomethoxy)phenyl]-4H-pyrido[2,3-d]pyrimidin-2-one;5-(methylamino)-3-(2-methylindazol-5-yl)-1-[4-(trideuteriomethoxy)phenyl]-7-(2,2,2-trifluoroethylamino)-4H-pyrimido[4,5-d]pyrimidin-2-one
SMILESCCOc1cnc2c(n1)N(c1ccc(Cl)cc1)C(=O)N(c1ccc3nn(C)cc3c1)C2.Cn1cc2cc(N3Cc4ccc(OCC(F)F)nc4N(c4ccc5oc(N)nc5c4)C3=O)ccc2n1.[2H]C([2H])([2H])Oc1ccc(N2C(=O)N(c3ccc4nc(OC)n(C)c4c3)Cc3ccc(OCC(F)F)nc32)cc1.[2H]C([2H])([2H])Oc1ccc(N2C(=O)N(c3ccc4nn(C)cc4c3)Cc3c(NC)nc(NCC(F)(F)F)nc32)cc1
InChIInChI=1S/C25H23F2N5O4.C24H23F3N8O2.C24H19F2N7O3.C22H19ClN6O2/c1-30-20-12-17(7-10-19(20)28-24(30)35-3)31-13-15-4-11-22(36-14-21(26)27)29-23(15)32(25(31)33)16-5-8-18(34-2)9-6-16;1-28-20-18-12-34(16-6-9-19-14(10-16)11-33(2)32-19)23(36)35(15-4-7-17(37-3)8-5-15)21(18)31-22(30-20)29-13-24(25,26)27;1-31-10-14-8-15(3-5-17(14)30-31)32-11-13-2-7-21(35-12-20(25)26)29-22(13)33(24(32)34)16-4-6-19-18(9-16)28-23(27)36-19;1-3-31-20-11-24-19-13-28(17-8-9-18-14(10-17)12-27(2)26-18)22(30)29(21(19)25-20)16-6-4-15(23)5-7-16/h4-12,21H,13-14H2,1-3H3;4-11H,12-13H2,1-3H3,(H2,28,29,30,31);2-10,20H,11-12H2,1H3,(H2,27,28);4-12H,3,13H2,1-2H3/i2D3;3D3;;
InChIKeyBKDVFNQYXPOOLD-OEKRMKEFSA-N
XLogP18.88
TPSA374.31 Ų
H-Bond Donors3
H-Bond Acceptors29
Rotatable Bonds24
Heavy Atoms140
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001940.36
LogP ≤ 518.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1029

Analyze 1-(2-amino-1,3-benzoxazol-5-yl)-7-(2,2-difluoroethoxy)-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;1-(4-chlorophenyl)-7-ethoxy-3-(2-methylindazol-5-yl)-4H-pteridin-2-one;7-(2,2-difluoroethoxy)-3-(2-methoxy-3-methylbenzimidazol-5-yl)-1-[4-(trideuteriomethoxy)phenyl]-4H-pyrido[2,3-d]pyrimidin-2-one;5-(methylamino)-3-(2-methylindazol-5-yl)-1-[4-(trideuteriomethoxy)phenyl]-7-(2,2,2-trifluoroethylamino)-4H-pyrimido[4,5-d]pyrimidin-2-one with MolForge

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Related Compounds

2-N-(1,3-benzoxazol-5-yl)-6-(2-methylbenzimidazol-1-yl)-1,3,5-triazine-2,4-diamine;N-[4-(2-methylbenzimidazol-1-yl)-6-(quinolin-6-ylamino)-1,3,5-triazin-2-yl]hydroxylamine;6-(2-methylbenzimidazol-1-yl)-2-N-quinolin-6-yl-1,3,5-triazine-2,4-diamine;N-[4-(2-methylbenzimidazol-1-yl)-6-[4-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]hydroxylamine
CID 158799670
CID 160978423
CID 160978423
6-chloro-1'-[1-[4-fluoro-3-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]spiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one;1-[4-(1-fluoroethoxy)phenyl]-8-[1-[4-fluoro-3-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one;5-fluoro-1'-[1-[4-fluoro-3-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]spiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one;6-fluoro-1'-[1-[4-fluoro-3-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]spiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one;1'-[1-[4-fluoro-3-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]spiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-2-one
CID 161396188
4-chloro-1-methylpyrazole;3-chloro-1-methylpyrrolo[2,3-b]pyridine;6-chloro-1-methylpyrrolo[2,3-b]pyridine;7-chloro-1-methylpyrrolo[2,3-c]pyridine;3,3-difluoro-1-methylindol-2-one;1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine;3,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine;1,3-dimethylimidazo[4,5-b]pyridin-2-one;1,3-dimethylpyrazole;1,5-dimethylpyrazole;3-methanimidoyl-N-methylpyridin-2-amine;1-methylbenzimidazole;3-methyl-1,3-benzoxazol-2-one;3-methylimidazo[4,5-b]pyridine;3-methyl-1H-imidazo[4,5-b]pyridin-2-one;3-(methyliminomethyl)pyridin-2-amine;1-methylindole-2,3-dione;bis(1-methyl-3H-indol-2-one);(1-methyl-3-methyliminopiperidin-4-ylidene)methanamine;(1-methyl-4-methyliminopiperidin-3-ylidene)methanamine;3-methyl-[1,3]oxazolo[4,5-b]pyridin-2-one;1-methylpyrazole;1-methylpyrrolo[2,3-b]pyridine;1-methylpyrrolo[2,3-c]pyridine;1,3,3-trimethylindol-2-one
CID 161415289
1-(4-chlorophenyl)-3-(4-methoxyphenyl)-7-(2,2,2-trifluoroethylamino)-4H-pteridin-2-one;3-(2,3-dimethylbenzimidazol-5-yl)-5-methyl-1-[4-(trideuteriomethoxy)phenyl]-7-(2,2,2-trifluoroethylamino)-4H-pyrimido[4,5-d]pyrimidin-2-one;7-ethoxy-3-(2-methylindazol-5-yl)-1-[4-(trideuteriomethoxy)phenyl]-4H-pteridin-2-one
CID 164961548
1-[4-(difluoromethoxy)phenyl]-7-(ethylamino)-3-(3-methylbenzimidazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;1-[6-(difluoromethoxy)-3-pyridinyl]-7-ethoxy-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;4-[3-(4-methoxyphenyl)-2-oxo-7-(2,2,2-trifluoroethylamino)-4H-pyrimido[4,5-d]pyrimidin-1-yl]benzamide;4-[3-(4-methoxyphenyl)-2-oxo-7-(2,2,2-trifluoroethylamino)-4H-pyrimido[4,5-d]pyrimidin-1-yl]-N-methylbenzamide
CID 164996492
1-(3H-benzimidazol-5-yl)-7-(2,2-difluoroethoxy)-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;7-(2,2-difluoroethoxy)-1-(1-methylbenzimidazol-5-yl)-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;1-(4-methoxyphenyl)-3-(2-methylindazol-5-yl)-7-(2,2,2-trifluoroethylamino)-4H-pyrimido[4,5-d]pyrimidin-2-one;3-(2-methylindazol-5-yl)-1-[4-(trideuteriomethoxy)phenyl]-7-(2,2,2-trifluoroethylamino)-4H-pyrimido[4,5-d]pyrimidin-2-one
CID 165025659
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
6-(4-chloro-2-methylphenyl)-2-[5-[1-[[5-[1-methyl-7-(1-methylpyrazol-4-yl)-4-oxoimidazo[4,5-c]pyridin-5-yl]benzimidazol-1-yl]methyl]-7-(1-methylpyrazol-4-yl)-4-oxoimidazo[4,5-c]pyridin-5-yl]-1,3-benzoxazol-2-yl]-8-(1H-pyrazol-4-yl)pyrido[3,4-b]pyrazin-5-one
CID 123302018
N-[4-(1,3-benzoxazol-5-yloxy)-3-methylphenyl]-6-(2-methoxyethoxy)quinazolin-4-amine;N-[3-chloro-4-(1-methylbenzimidazol-5-yl)oxyphenyl]-6-[3-(dimethylamino)propoxy]quinazolin-4-amine;N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)-6-piperidin-4-yloxyquinazolin-4-amine;(2S)-1-[4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]quinazolin-6-yl]oxypropan-2-ol;N-[4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]quinazolin-6-yl]pyrrolidine-1-carboxamide
CID 157930927
5-(8-chloro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole;5-(6-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole;8-fluoro-5-methyl-2-(5-methyl-3-pyridinyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;6-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)pyridine-3-carbonitrile;4-[6-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)quinazolin-2-yl]morpholine;5-(7-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole;4-[5-(5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-2-pyridinyl]morpholine;4-(2-morpholin-4-yl-1,3-benzoxazol-5-yl)-8-oxa-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene
CID 158049519
2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-[(3S)-3-methyl-4-propan-2-ylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-piperidin-4-ylpyrazino[1,2-a]pyrimidin-4-one;7-(1-ethylpiperidin-4-yl)-2-(2-methyl-1,3-benzoxazol-6-yl)pyrimido[1,2-b]pyridazin-4-one;2-(2-methyl-1,3-benzoxazol-6-yl)-7-(1-methylpiperidin-4-yl)pyrimido[1,2-b]pyridazin-4-one;2-(2-methyl-1,3-benzoxazol-6-yl)-7-piperidin-4-ylpyrimido[1,2-b]pyridazin-4-one
CID 158544012

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-1,3-benzoxazol-5-yl)-7-(2,2-difluoroethoxy)-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;1-(4-chlorophenyl)-7-ethoxy-3-(2-methylindazol-5-yl)-4H-pteridin-2-one;7-(2,2-difluoroethoxy)-3-(2-methoxy-3-methylbenzimidazol-5-yl)-1-[4-(trideuteriomethoxy)phenyl]-4H-pyrido[2,3-d]pyrimidin-2-one;5-(methylamino)-3-(2-methylindazol-5-yl)-1-[4-(trideuteriomethoxy)phenyl]-7-(2,2,2-trifluoroethylamino)-4H-pyrimido[4,5-d]pyrimidin-2-one?
The IUPAC name of 1-(2-amino-1,3-benzoxazol-5-yl)-7-(2,2-difluoroethoxy)-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;1-(4-chlorophenyl)-7-ethoxy-3-(2-methylindazol-5-yl)-4H-pteridin-2-one;7-(2,2-difluoroethoxy)-3-(2-methoxy-3-methylbenzimidazol-5-yl)-1-[4-(trideuteriomethoxy)phenyl]-4H-pyrido[2,3-d]pyrimidin-2-one;5-(methylamino)-3-(2-methylindazol-5-yl)-1-[4-(trideuteriomethoxy)phenyl]-7-(2,2,2-trifluoroethylamino)-4H-pyrimido[4,5-d]pyrimidin-2-one (CID 164957739) is 1-(2-amino-1,3-benzoxazol-5-yl)-7-(2,2-difluoroethoxy)-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;1-(4-chlorophenyl)-7-ethoxy-3-(2-methylindazol-5-yl)-4H-pteridin-2-one;7-(2,2-difluoroethoxy)-3-(2-methoxy-3-methylbenzimidazol-5-yl)-1-[4-(trideuteriomethoxy)phenyl]-4H-pyrido[2,3-d]pyrimidin-2-one;5-(methylamino)-3-(2-methylindazol-5-yl)-1-[4-(trideuteriomethoxy)phenyl]-7-(2,2,2-trifluoroethylamino)-4H-pyrimido[4,5-d]pyrimidin-2-one.
What is the SMILES notation for 1-(2-amino-1,3-benzoxazol-5-yl)-7-(2,2-difluoroethoxy)-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;1-(4-chlorophenyl)-7-ethoxy-3-(2-methylindazol-5-yl)-4H-pteridin-2-one;7-(2,2-difluoroethoxy)-3-(2-methoxy-3-methylbenzimidazol-5-yl)-1-[4-(trideuteriomethoxy)phenyl]-4H-pyrido[2,3-d]pyrimidin-2-one;5-(methylamino)-3-(2-methylindazol-5-yl)-1-[4-(trideuteriomethoxy)phenyl]-7-(2,2,2-trifluoroethylamino)-4H-pyrimido[4,5-d]pyrimidin-2-one?
The canonical SMILES for 1-(2-amino-1,3-benzoxazol-5-yl)-7-(2,2-difluoroethoxy)-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;1-(4-chlorophenyl)-7-ethoxy-3-(2-methylindazol-5-yl)-4H-pteridin-2-one;7-(2,2-difluoroethoxy)-3-(2-methoxy-3-methylbenzimidazol-5-yl)-1-[4-(trideuteriomethoxy)phenyl]-4H-pyrido[2,3-d]pyrimidin-2-one;5-(methylamino)-3-(2-methylindazol-5-yl)-1-[4-(trideuteriomethoxy)phenyl]-7-(2,2,2-trifluoroethylamino)-4H-pyrimido[4,5-d]pyrimidin-2-one is CCOc1cnc2c(n1)N(c1ccc(Cl)cc1)C(=O)N(c1ccc3nn(C)cc3c1)C2.Cn1cc2cc(N3Cc4ccc(OCC(F)F)nc4N(c4ccc5oc(N)nc5c4)C3=O)ccc2n1.[2H]C([2H])([2H])Oc1ccc(N2C(=O)N(c3ccc4nc(OC)n(C)c4c3)Cc3ccc(OCC(F)F)nc32)cc1.[2H]C([2H])([2H])Oc1ccc(N2C(=O)N(c3ccc4nn(C)cc4c3)Cc3c(NC)nc(NCC(F)(F)F)nc32)cc1.
What is the InChIKey of 1-(2-amino-1,3-benzoxazol-5-yl)-7-(2,2-difluoroethoxy)-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;1-(4-chlorophenyl)-7-ethoxy-3-(2-methylindazol-5-yl)-4H-pteridin-2-one;7-(2,2-difluoroethoxy)-3-(2-methoxy-3-methylbenzimidazol-5-yl)-1-[4-(trideuteriomethoxy)phenyl]-4H-pyrido[2,3-d]pyrimidin-2-one;5-(methylamino)-3-(2-methylindazol-5-yl)-1-[4-(trideuteriomethoxy)phenyl]-7-(2,2,2-trifluoroethylamino)-4H-pyrimido[4,5-d]pyrimidin-2-one?
The InChIKey is BKDVFNQYXPOOLD-OEKRMKEFSA-N. The full InChI is InChI=1S/C25H23F2N5O4.C24H23F3N8O2.C24H19F2N7O3.C22H19ClN6O2/c1-30-20-12-17(7-10-19(20)28-24(30)35-3)31-13-15-4-11-22(36-14-21(26)27)29-23(15)32(25(31)33)16-5-8-18(34-2)9-6-16;1-28-20-18-12-34(16-6-9-19-14(10-16)11-33(2)32-19)23(36)35(15-4-7-17(37-3)8-5-15)21(18)31-22(30-20)29-13-24(25,26)27;1-31-10-14-8-15(3-5-17(14)30-31)32-11-13-2-7-21(35-12-20(25)26)29-22(13)33(24(32)34)16-4-6-19-18(9-16)28-23(27)36-19;1-3-31-20-11-24-19-13-28(17-8-9-18-14(10-17)12-27(2)26-18)22(30)29(21(19)25-20)16-6-4-15(23)5-7-16/h4-12,21H,13-14H2,1-3H3;4-11H,12-13H2,1-3H3,(H2,28,29,30,31);2-10,20H,11-12H2,1H3,(H2,27,28);4-12H,3,13H2,1-2H3/i2D3;3D3;;.
What are the key properties of 1-(2-amino-1,3-benzoxazol-5-yl)-7-(2,2-difluoroethoxy)-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;1-(4-chlorophenyl)-7-ethoxy-3-(2-methylindazol-5-yl)-4H-pteridin-2-one;7-(2,2-difluoroethoxy)-3-(2-methoxy-3-methylbenzimidazol-5-yl)-1-[4-(trideuteriomethoxy)phenyl]-4H-pyrido[2,3-d]pyrimidin-2-one;5-(methylamino)-3-(2-methylindazol-5-yl)-1-[4-(trideuteriomethoxy)phenyl]-7-(2,2,2-trifluoroethylamino)-4H-pyrimido[4,5-d]pyrimidin-2-one?
1-(2-amino-1,3-benzoxazol-5-yl)-7-(2,2-difluoroethoxy)-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;1-(4-chlorophenyl)-7-ethoxy-3-(2-methylindazol-5-yl)-4H-pteridin-2-one;7-(2,2-difluoroethoxy)-3-(2-methoxy-3-methylbenzimidazol-5-yl)-1-[4-(trideuteriomethoxy)phenyl]-4H-pyrido[2,3-d]pyrimidin-2-one;5-(methylamino)-3-(2-methylindazol-5-yl)-1-[4-(trideuteriomethoxy)phenyl]-7-(2,2,2-trifluoroethylamino)-4H-pyrimido[4,5-d]pyrimidin-2-one has a molecular weight of 1940.36 g/mol, XLogP of 18.88, 24 rotatable bonds, 3 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-1,3-benzoxazol-5-yl)-7-(2,2-difluoroethoxy)-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;1-(4-chlorophenyl)-7-ethoxy-3-(2-methylindazol-5-yl)-4H-pteridin-2-one;7-(2,2-difluoroethoxy)-3-(2-methoxy-3-methylbenzimidazol-5-yl)-1-[4-(trideuteriomethoxy)phenyl]-4H-pyrido[2,3-d]pyrimidin-2-one;5-(methylamino)-3-(2-methylindazol-5-yl)-1-[4-(trideuteriomethoxy)phenyl]-7-(2,2,2-trifluoroethylamino)-4H-pyrimido[4,5-d]pyrimidin-2-one is sourced from PubChem (CID 164957739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).