4-chloro-5-[4-[(7-fluoro-1H-indazol-3-yl)amino]pyrido[3,4-d]pyrimidin-2-yl]-1,2-dihydroindazol-3-one;6-[4-(1H-imidazol-5-yl)-6-(1H-indazol-3-ylamino)pyrimidin-2-yl]-7-(trifluoromethyl)-2,3-dihydroisoindol-1-one;4-(1H-indazol-3-ylamino)-2-[3-oxo-4-(trifluoromethyl)-1,2-dihydroindazol-5-yl]-6,8-dihydro-5H-pyrido[4,3-d]pyrimidin-7-one;5-[4-(1H-indazol-3-ylamino)-6-phenoxypyrimidin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one

C91H58ClF10N31O6 — CID 158390937

IUPAC4-chloro-5-[4-[(7-fluoro-1H-indazol-3-yl)amino]pyrido[3,4-d]pyrimidin-2-yl]-1,2-dihydroindazol-3-one;6-[4-(1H-imidazol-5-yl)-6-(1H-indazol-3-ylamino)pyrimidin-2-yl]-7-(trifluoromethyl)-2,3-dihydroisoindol-1-one;4-(1H-indazol-3-ylamino)-2-[3-oxo-4-(trifluoromethyl)-1,2-dihydroindazol-5-yl]-6,8-dihydro-5H-pyrido[4,3-d]pyrimidin-7-one;5-[4-(1H-indazol-3-ylamino)-6-phenoxypyrimidin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one
SMILESO=C1Cc2nc(-c3ccc4[nH][nH]c(=O)c4c3C(F)(F)F)nc(Nc3n[nH]c4ccccc34)c2CN1.O=C1NCc2ccc(-c3nc(Nc4n[nH]c5ccccc45)cc(-c4cnc[nH]4)n3)c(C(F)(F)F)c21.O=c1[nH][nH]c2ccc(-c3nc(Nc4n[nH]c5c(F)cccc45)c4ccncc4n3)c(Cl)c12.O=c1[nH][nH]c2ccc(-c3nc(Nc4n[nH]c5ccccc45)cc(Oc4ccccc4)n3)c(C(F)(F)F)c12
InChIInChI=1S/C25H16F3N7O2.C23H15F3N8O.C22H15F3N8O2.C21H12ClFN8O/c26-25(27,28)21-15(10-11-17-20(21)24(36)35-33-17)22-29-18(12-19(31-22)37-13-6-2-1-3-7-13)30-23-14-8-4-5-9-16(14)32-34-23;24-23(25,26)19-13(6-5-11-8-28-22(35)18(11)19)20-30-15(16-9-27-10-29-16)7-17(31-20)32-21-12-3-1-2-4-14(12)33-34-21;23-22(24,25)17-10(5-6-13-16(17)21(35)33-31-13)18-27-14-7-15(34)26-8-11(14)19(28-18)29-20-9-3-1-2-4-12(9)30-32-20;22-16-10(4-5-13-15(16)21(32)31-28-13)19-25-14-8-24-7-6-9(14)18(26-19)27-20-11-2-1-3-12(23)17(11)29-30-20/h1-12H,(H2,33,35,36)(H2,29,30,31,32,34);1-7,9-10H,8H2,(H,27,29)(H,28,35)(H2,30,31,32,33,34);1-6H,7-8H2,(H,26,34)(H2,31,33,35)(H2,27,28,29,30,32);1-8H,(H2,28,31,32)(H2,25,26,27,29,30)
InChIKeyGWYMQJJLZYALIU-UHFFFAOYSA-N
MW1907.11 g/mol
LogP17.56
Rot. Bonds15

About 4-chloro-5-[4-[(7-fluoro-1H-indazol-3-yl)amino]pyrido[3,4-d]pyrimidin-2-yl]-1,2-dihydroindazol-3-one;6-[4-(1H-imidazol-5-yl)-6-(1H-indazol-3-ylamino)pyrimidin-2-yl]-7-(trifluoromethyl)-2,3-dihydroisoindol-1-one;4-(1H-indazol-3-ylamino)-2-[3-oxo-4-(trifluoromethyl)-1,2-dihydroindazol-5-yl]-6,8-dihydro-5H-pyrido[4,3-d]pyrimidin-7-one;5-[4-(1H-indazol-3-ylamino)-6-phenoxypyrimidin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one

4-chloro-5-[4-[(7-fluoro-1H-indazol-3-yl)amino]pyrido[3,4-d]pyrimidin-2-yl]-1,2-dihydroindazol-3-one;6-[4-(1H-imidazol-5-yl)-6-(1H-indazol-3-ylamino)pyrimidin-2-yl]-7-(trifluoromethyl)-2,3-dihydroisoindol-1-one;4-(1H-indazol-3-ylamino)-2-[3-oxo-4-(trifluoromethyl)-1,2-dihydroindazol-5-yl]-6,8-dihydro-5H-pyrido[4,3-d]pyrimidin-7-one;5-[4-(1H-indazol-3-ylamino)-6-phenoxypyrimidin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one (PubChem CID 158390937) has the molecular formula C91H58ClF10N31O6 and a molecular weight of 1907.11 g/mol. Its IUPAC name is 4-chloro-5-[4-[(7-fluoro-1H-indazol-3-yl)amino]pyrido[3,4-d]pyrimidin-2-yl]-1,2-dihydroindazol-3-one;6-[4-(1H-imidazol-5-yl)-6-(1H-indazol-3-ylamino)pyrimidin-2-yl]-7-(trifluoromethyl)-2,3-dihydroisoindol-1-one;4-(1H-indazol-3-ylamino)-2-[3-oxo-4-(trifluoromethyl)-1,2-dihydroindazol-5-yl]-6,8-dihydro-5H-pyrido[4,3-d]pyrimidin-7-one;5-[4-(1H-indazol-3-ylamino)-6-phenoxypyrimidin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one.

Molecular Properties

Compound Name4-chloro-5-[4-[(7-fluoro-1H-indazol-3-yl)amino]pyrido[3,4-d]pyrimidin-2-yl]-1,2-dihydroindazol-3-one;6-[4-(1H-imidazol-5-yl)-6-(1H-indazol-3-ylamino)pyrimidin-2-yl]-7-(trifluoromethyl)-2,3-dihydroisoindol-1-one;4-(1H-indazol-3-ylamino)-2-[3-oxo-4-(trifluoromethyl)-1,2-dihydroindazol-5-yl]-6,8-dihydro-5H-pyrido[4,3-d]pyrimidin-7-one;5-[4-(1H-indazol-3-ylamino)-6-phenoxypyrimidin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one
PubChem CID158390937
Molecular FormulaC91H58ClF10N31O6
Molecular Weight1907.11 g/mol
Exact Mass1905.47
IUPAC Name4-chloro-5-[4-[(7-fluoro-1H-indazol-3-yl)amino]pyrido[3,4-d]pyrimidin-2-yl]-1,2-dihydroindazol-3-one;6-[4-(1H-imidazol-5-yl)-6-(1H-indazol-3-ylamino)pyrimidin-2-yl]-7-(trifluoromethyl)-2,3-dihydroisoindol-1-one;4-(1H-indazol-3-ylamino)-2-[3-oxo-4-(trifluoromethyl)-1,2-dihydroindazol-5-yl]-6,8-dihydro-5H-pyrido[4,3-d]pyrimidin-7-one;5-[4-(1H-indazol-3-ylamino)-6-phenoxypyrimidin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one
SMILESO=C1Cc2nc(-c3ccc4[nH][nH]c(=O)c4c3C(F)(F)F)nc(Nc3n[nH]c4ccccc34)c2CN1.O=C1NCc2ccc(-c3nc(Nc4n[nH]c5ccccc45)cc(-c4cnc[nH]4)n3)c(C(F)(F)F)c21.O=c1[nH][nH]c2ccc(-c3nc(Nc4n[nH]c5c(F)cccc45)c4ccncc4n3)c(Cl)c12.O=c1[nH][nH]c2ccc(-c3nc(Nc4n[nH]c5ccccc45)cc(Oc4ccccc4)n3)c(C(F)(F)F)c12
InChIInChI=1S/C25H16F3N7O2.C23H15F3N8O.C22H15F3N8O2.C21H12ClFN8O/c26-25(27,28)21-15(10-11-17-20(21)24(36)35-33-17)22-29-18(12-19(31-22)37-13-6-2-1-3-7-13)30-23-14-8-4-5-9-16(14)32-34-23;24-23(25,26)19-13(6-5-11-8-28-22(35)18(11)19)20-30-15(16-9-27-10-29-16)7-17(31-20)32-21-12-3-1-2-4-14(12)33-34-21;23-22(24,25)17-10(5-6-13-16(17)21(35)33-31-13)18-27-14-7-15(34)26-8-11(14)19(28-18)29-20-9-3-1-2-4-12(9)30-32-20;22-16-10(4-5-13-15(16)21(32)31-28-13)19-25-14-8-24-7-6-9(14)18(26-19)27-20-11-2-1-3-12(23)17(11)29-30-20/h1-12H,(H2,33,35,36)(H2,29,30,31,32,34);1-7,9-10H,8H2,(H,27,29)(H,28,35)(H2,30,31,32,33,34);1-6H,7-8H2,(H,26,34)(H2,31,33,35)(H2,27,28,29,30,32);1-8H,(H2,28,31,32)(H2,25,26,27,29,30)
InChIKeyGWYMQJJLZYALIU-UHFFFAOYSA-N
XLogP17.56
TPSA520.91 Ų
H-Bond Donors17
H-Bond Acceptors24
Rotatable Bonds15
Heavy Atoms139
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001907.11
LogP ≤ 517.56
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1024

Analyze 4-chloro-5-[4-[(7-fluoro-1H-indazol-3-yl)amino]pyrido[3,4-d]pyrimidin-2-yl]-1,2-dihydroindazol-3-one;6-[4-(1H-imidazol-5-yl)-6-(1H-indazol-3-ylamino)pyrimidin-2-yl]-7-(trifluoromethyl)-2,3-dihydroisoindol-1-one;4-(1H-indazol-3-ylamino)-2-[3-oxo-4-(trifluoromethyl)-1,2-dihydroindazol-5-yl]-6,8-dihydro-5H-pyrido[4,3-d]pyrimidin-7-one;5-[4-(1H-indazol-3-ylamino)-6-phenoxypyrimidin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one with MolForge

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Related Compounds

5-[4-(1H-indazol-3-ylamino)-5,6-dimethylpyrimidin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-(1H-indazol-3-ylamino)-6-phenylpyrimidin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-(1H-indazol-3-ylamino)-6-pyridin-2-ylpyrimidin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;4-methoxy-5-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-1,2-dihydroindazol-3-one
CID 158080438
6-chloro-2-methoxy-4-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyridine-3-carboxamide;2-chloro-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-5-(trifluoromethyl)benzamide;(4-fluorophenyl) N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]carbamate;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]quinoxaline-2-carboxamide
CID 159365495
6-chloro-2-methoxy-4-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyridine-3-carboxamide;2-chloro-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-5-(trifluoromethyl)benzamide;(4-fluorophenyl) N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]carbamate;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2-piperidin-1-ylpyridine-3-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]quinoxaline-2-carboxamide
CID 159512025
5-[8-ethyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-4-(trifluoromethoxy)-1,2-dihydroindazol-3-one;5-[4-[(5-fluoro-1H-indazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-[(7-fluoro-1H-indazol-3-yl)amino]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-(1H-indazol-3-ylamino)pyrido[2,3-d]pyrimidin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one
CID 159555715
CID 160950855
CID 160950855
2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;bis(4-cyclopropyl-5-[[5-[4-(1H-imidazol-2-yl)phenyl]-2-methyl-1,2,4-triazol-3-yl]methyl]-1H-indazole);4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(2,2-difluoropropyl)benzamide;6-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-ethyl-1-methyl-3,4-dihydro-1H-isoquinoline;1-[6-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]ethanone;2-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-5-ethyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine;2-[4-[5-(1H-indazol-5-ylmethyl)-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide
CID 161903343
4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-1-methylindazole-6-carboxamide;[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methylindazol-6-yl]-[3-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone;6-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]-1H-benzimidazole-4-carboxamide;7-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]-3H-benzimidazole-5-carboxamide;4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]-1H-indazole-6-carboxamide
CID 164986662
CID 165016796
CID 165016796
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;1-tert-butyl-6-(1-methylpyrazol-4-yl)indole;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
CID 165101961
6-[2-(5-chloro-2,4-difluorophenyl)-3-pyridinyl]-4-methoxyquinoline;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-3-(1H-imidazol-2-yl)imidazo[1,2-a]pyridine;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-3-(1H-1,2,4-triazol-5-yl)imidazo[1,2-a]pyridine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinoline-4-carboxamide
CID 157457218
4-benzyl-2-(4-chlorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]quinazoline-7-carboxamide;2-(3,4-difluorophenyl)-4-ethoxy-N-[3-(1H-imidazol-2-yl)propyl]quinoline-7-carboxamide;4-ethoxy-2-(4-fluorophenyl)-N-[[2-(1H-imidazol-2-yl)cyclopropyl]methyl]quinoline-7-carboxamide;4-ethoxy-2-(4-fluorophenyl)-N-(3H-indol-2-ylmethyl)quinazoline-7-carboxamide;4-ethoxy-2-(4-fluorophenyl)-N-[2-(1,2,4-triazol-1-yl)ethyl]quinoline-7-carboxamide
CID 159344654
2-(4-chlorophenyl)-4-ethoxy-N-[3-(4H-pyrazol-3-yl)propyl]quinoline-7-carboxamide;4-ethoxy-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)-2-(2-methoxy-4-pyridinyl)quinoline-7-carboxamide;4-ethoxy-2-(2-methoxy-4-pyridinyl)-N-[2-(2H-triazol-4-yl)ethyl]quinoline-7-carboxamide;2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]-4-(2-methoxy-4-pyridinyl)quinazoline-7-carboxamide;2-(4-fluorophenyl)-4-(2-methoxy-4-pyridinyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]quinazoline-7-carboxamide
CID 159628795

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-[4-[(7-fluoro-1H-indazol-3-yl)amino]pyrido[3,4-d]pyrimidin-2-yl]-1,2-dihydroindazol-3-one;6-[4-(1H-imidazol-5-yl)-6-(1H-indazol-3-ylamino)pyrimidin-2-yl]-7-(trifluoromethyl)-2,3-dihydroisoindol-1-one;4-(1H-indazol-3-ylamino)-2-[3-oxo-4-(trifluoromethyl)-1,2-dihydroindazol-5-yl]-6,8-dihydro-5H-pyrido[4,3-d]pyrimidin-7-one;5-[4-(1H-indazol-3-ylamino)-6-phenoxypyrimidin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one?
The IUPAC name of 4-chloro-5-[4-[(7-fluoro-1H-indazol-3-yl)amino]pyrido[3,4-d]pyrimidin-2-yl]-1,2-dihydroindazol-3-one;6-[4-(1H-imidazol-5-yl)-6-(1H-indazol-3-ylamino)pyrimidin-2-yl]-7-(trifluoromethyl)-2,3-dihydroisoindol-1-one;4-(1H-indazol-3-ylamino)-2-[3-oxo-4-(trifluoromethyl)-1,2-dihydroindazol-5-yl]-6,8-dihydro-5H-pyrido[4,3-d]pyrimidin-7-one;5-[4-(1H-indazol-3-ylamino)-6-phenoxypyrimidin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one (CID 158390937) is 4-chloro-5-[4-[(7-fluoro-1H-indazol-3-yl)amino]pyrido[3,4-d]pyrimidin-2-yl]-1,2-dihydroindazol-3-one;6-[4-(1H-imidazol-5-yl)-6-(1H-indazol-3-ylamino)pyrimidin-2-yl]-7-(trifluoromethyl)-2,3-dihydroisoindol-1-one;4-(1H-indazol-3-ylamino)-2-[3-oxo-4-(trifluoromethyl)-1,2-dihydroindazol-5-yl]-6,8-dihydro-5H-pyrido[4,3-d]pyrimidin-7-one;5-[4-(1H-indazol-3-ylamino)-6-phenoxypyrimidin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one.
What is the SMILES notation for 4-chloro-5-[4-[(7-fluoro-1H-indazol-3-yl)amino]pyrido[3,4-d]pyrimidin-2-yl]-1,2-dihydroindazol-3-one;6-[4-(1H-imidazol-5-yl)-6-(1H-indazol-3-ylamino)pyrimidin-2-yl]-7-(trifluoromethyl)-2,3-dihydroisoindol-1-one;4-(1H-indazol-3-ylamino)-2-[3-oxo-4-(trifluoromethyl)-1,2-dihydroindazol-5-yl]-6,8-dihydro-5H-pyrido[4,3-d]pyrimidin-7-one;5-[4-(1H-indazol-3-ylamino)-6-phenoxypyrimidin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one?
The canonical SMILES for 4-chloro-5-[4-[(7-fluoro-1H-indazol-3-yl)amino]pyrido[3,4-d]pyrimidin-2-yl]-1,2-dihydroindazol-3-one;6-[4-(1H-imidazol-5-yl)-6-(1H-indazol-3-ylamino)pyrimidin-2-yl]-7-(trifluoromethyl)-2,3-dihydroisoindol-1-one;4-(1H-indazol-3-ylamino)-2-[3-oxo-4-(trifluoromethyl)-1,2-dihydroindazol-5-yl]-6,8-dihydro-5H-pyrido[4,3-d]pyrimidin-7-one;5-[4-(1H-indazol-3-ylamino)-6-phenoxypyrimidin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one is O=C1Cc2nc(-c3ccc4[nH][nH]c(=O)c4c3C(F)(F)F)nc(Nc3n[nH]c4ccccc34)c2CN1.O=C1NCc2ccc(-c3nc(Nc4n[nH]c5ccccc45)cc(-c4cnc[nH]4)n3)c(C(F)(F)F)c21.O=c1[nH][nH]c2ccc(-c3nc(Nc4n[nH]c5c(F)cccc45)c4ccncc4n3)c(Cl)c12.O=c1[nH][nH]c2ccc(-c3nc(Nc4n[nH]c5ccccc45)cc(Oc4ccccc4)n3)c(C(F)(F)F)c12.
What is the InChIKey of 4-chloro-5-[4-[(7-fluoro-1H-indazol-3-yl)amino]pyrido[3,4-d]pyrimidin-2-yl]-1,2-dihydroindazol-3-one;6-[4-(1H-imidazol-5-yl)-6-(1H-indazol-3-ylamino)pyrimidin-2-yl]-7-(trifluoromethyl)-2,3-dihydroisoindol-1-one;4-(1H-indazol-3-ylamino)-2-[3-oxo-4-(trifluoromethyl)-1,2-dihydroindazol-5-yl]-6,8-dihydro-5H-pyrido[4,3-d]pyrimidin-7-one;5-[4-(1H-indazol-3-ylamino)-6-phenoxypyrimidin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one?
The InChIKey is GWYMQJJLZYALIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16F3N7O2.C23H15F3N8O.C22H15F3N8O2.C21H12ClFN8O/c26-25(27,28)21-15(10-11-17-20(21)24(36)35-33-17)22-29-18(12-19(31-22)37-13-6-2-1-3-7-13)30-23-14-8-4-5-9-16(14)32-34-23;24-23(25,26)19-13(6-5-11-8-28-22(35)18(11)19)20-30-15(16-9-27-10-29-16)7-17(31-20)32-21-12-3-1-2-4-14(12)33-34-21;23-22(24,25)17-10(5-6-13-16(17)21(35)33-31-13)18-27-14-7-15(34)26-8-11(14)19(28-18)29-20-9-3-1-2-4-12(9)30-32-20;22-16-10(4-5-13-15(16)21(32)31-28-13)19-25-14-8-24-7-6-9(14)18(26-19)27-20-11-2-1-3-12(23)17(11)29-30-20/h1-12H,(H2,33,35,36)(H2,29,30,31,32,34);1-7,9-10H,8H2,(H,27,29)(H,28,35)(H2,30,31,32,33,34);1-6H,7-8H2,(H,26,34)(H2,31,33,35)(H2,27,28,29,30,32);1-8H,(H2,28,31,32)(H2,25,26,27,29,30).
What are the key properties of 4-chloro-5-[4-[(7-fluoro-1H-indazol-3-yl)amino]pyrido[3,4-d]pyrimidin-2-yl]-1,2-dihydroindazol-3-one;6-[4-(1H-imidazol-5-yl)-6-(1H-indazol-3-ylamino)pyrimidin-2-yl]-7-(trifluoromethyl)-2,3-dihydroisoindol-1-one;4-(1H-indazol-3-ylamino)-2-[3-oxo-4-(trifluoromethyl)-1,2-dihydroindazol-5-yl]-6,8-dihydro-5H-pyrido[4,3-d]pyrimidin-7-one;5-[4-(1H-indazol-3-ylamino)-6-phenoxypyrimidin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one?
4-chloro-5-[4-[(7-fluoro-1H-indazol-3-yl)amino]pyrido[3,4-d]pyrimidin-2-yl]-1,2-dihydroindazol-3-one;6-[4-(1H-imidazol-5-yl)-6-(1H-indazol-3-ylamino)pyrimidin-2-yl]-7-(trifluoromethyl)-2,3-dihydroisoindol-1-one;4-(1H-indazol-3-ylamino)-2-[3-oxo-4-(trifluoromethyl)-1,2-dihydroindazol-5-yl]-6,8-dihydro-5H-pyrido[4,3-d]pyrimidin-7-one;5-[4-(1H-indazol-3-ylamino)-6-phenoxypyrimidin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one has a molecular weight of 1907.11 g/mol, XLogP of 17.56, 15 rotatable bonds, 17 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-[4-[(7-fluoro-1H-indazol-3-yl)amino]pyrido[3,4-d]pyrimidin-2-yl]-1,2-dihydroindazol-3-one;6-[4-(1H-imidazol-5-yl)-6-(1H-indazol-3-ylamino)pyrimidin-2-yl]-7-(trifluoromethyl)-2,3-dihydroisoindol-1-one;4-(1H-indazol-3-ylamino)-2-[3-oxo-4-(trifluoromethyl)-1,2-dihydroindazol-5-yl]-6,8-dihydro-5H-pyrido[4,3-d]pyrimidin-7-one;5-[4-(1H-indazol-3-ylamino)-6-phenoxypyrimidin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one is sourced from PubChem (CID 158390937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).