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

C92H82F10N24O11 — CID 164996492

IUPAC1-[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
SMILESCCNc1ccc2c(n1)N(c1ccc(OC(F)F)cc1)C(=O)N(c1ccc3ncn(C)c3c1)C2.CCOc1ccc2c(n1)N(c1ccc(OC(F)F)nc1)C(=O)N(c1ccc3nn(C)cc3c1)C2.CNC(=O)c1ccc(N2C(=O)N(c3ccc(OC)cc3)Cc3cnc(NCC(F)(F)F)nc32)cc1.COc1ccc(N2Cc3cnc(NCC(F)(F)F)nc3N(c3ccc(C(N)=O)cc3)C2=O)cc1
InChIInChI=1S/C24H22F2N6O2.C23H21F3N6O3.C23H20F2N6O3.C22H19F3N6O3/c1-3-27-21-11-4-15-13-31(17-7-10-19-20(12-17)30(2)14-28-19)24(33)32(22(15)29-21)16-5-8-18(9-6-16)34-23(25)26;1-27-20(33)14-3-5-17(6-4-14)32-19-15(11-28-21(30-19)29-13-23(24,25)26)12-31(22(32)34)16-7-9-18(35-2)10-8-16;1-3-33-20-8-4-14-13-30(16-5-7-18-15(10-16)12-29(2)28-18)23(32)31(21(14)27-20)17-6-9-19(26-11-17)34-22(24)25;1-34-17-8-6-15(7-9-17)30-11-14-10-27-20(28-12-22(23,24)25)29-19(14)31(21(30)33)16-4-2-13(3-5-16)18(26)32/h4-12,14,23H,3,13H2,1-2H3,(H,27,29);3-11H,12-13H2,1-2H3,(H,27,33)(H,28,29,30);4-12,22H,3,13H2,1-2H3;2-10H,11-12H2,1H3,(H2,26,32)(H,27,28,29)
InChIKeyHPYRQVHIOPZGIC-UHFFFAOYSA-N
MW1889.80 g/mol
LogP17.86
Rot. Bonds24

About 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

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 (PubChem CID 164996492) has the molecular formula C92H82F10N24O11 and a molecular weight of 1889.80 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[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
PubChem CID164996492
Molecular FormulaC92H82F10N24O11
Molecular Weight1889.80 g/mol
Exact Mass1888.64
IUPAC Name1-[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
SMILESCCNc1ccc2c(n1)N(c1ccc(OC(F)F)cc1)C(=O)N(c1ccc3ncn(C)c3c1)C2.CCOc1ccc2c(n1)N(c1ccc(OC(F)F)nc1)C(=O)N(c1ccc3nn(C)cc3c1)C2.CNC(=O)c1ccc(N2C(=O)N(c3ccc(OC)cc3)Cc3cnc(NCC(F)(F)F)nc32)cc1.COc1ccc(N2Cc3cnc(NCC(F)(F)F)nc3N(c3ccc(C(N)=O)cc3)C2=O)cc1
InChIInChI=1S/C24H22F2N6O2.C23H21F3N6O3.C23H20F2N6O3.C22H19F3N6O3/c1-3-27-21-11-4-15-13-31(17-7-10-19-20(12-17)30(2)14-28-19)24(33)32(22(15)29-21)16-5-8-18(9-6-16)34-23(25)26;1-27-20(33)14-3-5-17(6-4-14)32-19-15(11-28-21(30-19)29-13-23(24,25)26)12-31(22(32)34)16-7-9-18(35-2)10-8-16;1-3-33-20-8-4-14-13-30(16-5-7-18-15(10-16)12-29(2)28-18)23(32)31(21(14)27-20)17-6-9-19(26-11-17)34-22(24)25;1-34-17-8-6-15(7-9-17)30-11-14-10-27-20(28-12-22(23,24)25)29-19(14)31(21(30)33)16-4-2-13(3-5-16)18(26)32/h4-12,14,23H,3,13H2,1-2H3,(H,27,29);3-11H,12-13H2,1-2H3,(H,27,33)(H,28,29,30);4-12,22H,3,13H2,1-2H3;2-10H,11-12H2,1H3,(H2,26,32)(H,27,28,29)
InChIKeyHPYRQVHIOPZGIC-UHFFFAOYSA-N
XLogP17.86
TPSA374.50 Ų
H-Bond Donors5
H-Bond Acceptors25
Rotatable Bonds24
Heavy Atoms137
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001889.80
LogP ≤ 517.86
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1025

Analyze 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 with MolForge

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Related Compounds

3-[6-[4-(2-methoxyethyl)piperazin-1-yl]-4-[5-[[4-methoxy-3-(trifluoromethyl)phenyl]carbamoyl]-N,2-dimethylanilino]pyrimido[5,4-d]pyrimidin-1-ium-1-yl]-N-[4-methoxy-3-(trifluoromethyl)phenyl]-5-[[1-[[4-[[4-methoxy-3-(trifluoromethyl)phenyl]carbamoyl]-2-[methyl-(6-morpholin-4-ylpyrimido[5,4-d]pyrimidin-4-yl)amino]phenyl]methyl]-6-(oxolan-3-ylamino)pyrimido[5,4-d]pyrimidin-1-ium-4-yl]-methylamino]-4-methylbenzamide
CID 90990081
3-ethyl-8-[[5-fluoro-4-[3-[8-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-2,4,4a,5-tetrahydro-1H-pyrazino[2,1-c][1,4]benzoxazine-3-carbonyl]phenyl]-6-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-2,4,4a,5-tetrahydropyrazino[2,1-c][1,4]benzoxazin-1-one
CID 155027520
N-[4-(difluoromethoxy)phenyl]-4-fluoro-6-(2-methylbenzimidazol-1-yl)pyridin-2-amine;6-(5,6-difluoro-2-methylbenzimidazol-1-yl)-N-[4-(difluoromethyl)phenyl]pyrazin-2-amine;4-[[6-(5,6-difluoro-2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]benzaldehyde;6-(2-ethyl-5,6-difluorobenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyridine-2,4-diamine;6-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-N-[4-(trifluoromethoxy)phenyl]pyrazin-2-amine
CID 157993298
4-[4-[(3-tert-butyl-1-quinolin-6-ylpyrazol-5-yl)carbamoylamino]-3-fluorophenoxy]-N-methylpyridine-2-carboxamide;1-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-[4-(6-ethylpyrimidin-4-yl)oxyphenyl]urea
CID 158450670
4-[4-[(3-tert-butyl-1-quinolin-6-ylpyrazol-5-yl)carbamoylamino]-3-fluorophenoxy]-N-methylpyridine-2-carboxamide;1-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-[4-(6-ethylpyrimidin-4-yl)oxyphenyl]urea;methane
CID 159046911
N-benzyl-2-methyl-3-[6-[4-(trifluoromethyl)anilino]pyrazin-2-yl]benzimidazol-5-amine;1-[3,5-dimethyl-4-[6-[4-(trifluoromethyl)anilino]pyrazin-2-yl]pyrazol-1-yl]ethanone;6-[1,5-dimethyl-3-(trifluoromethyl)pyrazol-4-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;ethyl 4-[6-[4-(difluoromethoxy)anilino]pyrazin-2-yl]-3,5-dimethylpyrazole-1-carboxylate;ethyl 3,5-dimethyl-4-[6-[4-(trifluoromethyl)anilino]pyrazin-2-yl]pyrazole-1-carboxylate
CID 159291145
4-[4-[(3-tert-butyl-1-quinolin-6-ylpyrazol-5-yl)carbamoylamino]-3-fluorophenoxy]-N-methylpyridine-2-carboxamide;1-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-[4-(6-ethylpyrimidin-4-yl)oxyphenyl]urea;3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide
CID 159554086
4-[6-amino-9-[3-[[(E)-4-(dimethylamino)but-2-enyl]-methylamino]phenyl]-8-oxopurin-7-yl]-N-[3-(trifluoromethyl)phenyl]benzamide;6-amino-9-[3-(3-methyl-2-oxo-1-pyridinyl)phenyl]-7-(4-phenoxyphenyl)purin-8-one;(E)-N-[3-[6-amino-8-oxo-7-(4-phenoxyphenyl)purin-9-yl]phenyl]-N-methyl-4-morpholin-4-ylbut-2-enamide;(E)-N-[3-[6-amino-8-oxo-7-(6-phenoxy-3-pyridinyl)purin-9-yl]phenyl]-4-[cyclopropyl(methyl)amino]-N-methylbut-2-enamide
CID 160592949
[5-[[4-[4-(2,2-difluoropropoxy)-2-pyridinyl]pyrimidin-2-yl]amino]-1H-indol-2-yl]-(4-methylpiperazin-1-yl)methanone;(4-methylpiperazin-1-yl)-[5-[[4-(4-prop-2-enoxy-2-pyridinyl)pyrimidin-2-yl]amino]-1H-indol-2-yl]methanone;N-methyl-5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-2,3-dihydroindole-1-carboxamide;1-methyl-N-(4-pyridin-2-ylpyrimidin-2-yl)benzimidazol-5-amine
CID 160793957
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
5-tert-butyl-2-[6-(dimethylamino)-3-pyridinyl]-1,4-dihydroisoquinolin-3-one;4-tert-butyl-5-fluoro-1H-indole;8-tert-butylisoquinoline;5-tert-butyl-2H-isoquinolin-1-one;4-tert-butyl-2-(4-methoxyphenyl)-3H-isoindol-1-one;4-tert-butyl-2-(1-methylpyrazol-4-yl)-3H-isoindol-1-one;8-tert-butyl-2-(4-pyrrolidin-1-ylphenyl)imidazo[1,2-a]pyridine;5-tert-butylquinazolin-2-amine;5-tert-butyl-1,2,3,4-tetrahydronaphthalene;3-tert-butyl-5-(trifluoromethyl)-3a,7a-dihydro-1H-pyrrolo[2,3-b]pyridine;8-tert-butyl-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine
CID 164966650
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCNc1ccc2c(n1)N(c1ccc(OC(F)F)cc1)C(=O)N(c1ccc3ncn(C)c3c1)C2.CCOc1ccc2c(n1)N(c1ccc(OC(F)F)nc1)C(=O)N(c1ccc3nn(C)cc3c1)C2.CNC(=O)c1ccc(N2C(=O)N(c3ccc(OC)cc3)Cc3cnc(NCC(F)(F)F)nc32)cc1.COc1ccc(N2Cc3cnc(NCC(F)(F)F)nc3N(c3ccc(C(N)=O)cc3)C2=O)cc1.
What is the InChIKey of 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?
The InChIKey is HPYRQVHIOPZGIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F2N6O2.C23H21F3N6O3.C23H20F2N6O3.C22H19F3N6O3/c1-3-27-21-11-4-15-13-31(17-7-10-19-20(12-17)30(2)14-28-19)24(33)32(22(15)29-21)16-5-8-18(9-6-16)34-23(25)26;1-27-20(33)14-3-5-17(6-4-14)32-19-15(11-28-21(30-19)29-13-23(24,25)26)12-31(22(32)34)16-7-9-18(35-2)10-8-16;1-3-33-20-8-4-14-13-30(16-5-7-18-15(10-16)12-29(2)28-18)23(32)31(21(14)27-20)17-6-9-19(26-11-17)34-22(24)25;1-34-17-8-6-15(7-9-17)30-11-14-10-27-20(28-12-22(23,24)25)29-19(14)31(21(30)33)16-4-2-13(3-5-16)18(26)32/h4-12,14,23H,3,13H2,1-2H3,(H,27,29);3-11H,12-13H2,1-2H3,(H,27,33)(H,28,29,30);4-12,22H,3,13H2,1-2H3;2-10H,11-12H2,1H3,(H2,26,32)(H,27,28,29).
What are the key properties of 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?
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 has a molecular weight of 1889.80 g/mol, XLogP of 17.86, 24 rotatable bonds, 5 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 164996492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).