6-[5-chloro-2-[4-(difluoromethyl)triazol-1-yl]phenyl]-2-[5-chloro-4-(2-methylidene-3,4-dihydro-1H-quinolin-6-yl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-(7-fluoro-3-methyl-2H-indazol-6-yl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-2-[5-fluoro-4-(3-methyl-2H-indazol-6-yl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one

C87H61Cl4F7N24O3 — CID 167532496

IUPAC6-[5-chloro-2-[4-(difluoromethyl)triazol-1-yl]phenyl]-2-[5-chloro-4-(2-methylidene-3,4-dihydro-1H-quinolin-6-yl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-(7-fluoro-3-methyl-2H-indazol-6-yl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-2-[5-fluoro-4-(3-methyl-2H-indazol-6-yl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one
SMILESC=C1CCc2cc(-c3nc(C4C5CC5c5cc(-c6cc(Cl)ccc6-n6cc(C(F)F)nn6)cc(=O)n54)[nH]c3Cl)ccc2N1.Cc1[nH]nc2c(F)c(-c3cnc(C4C5CC5c5cc(-c6cc(Cl)ccc6-n6cnnn6)cc(=O)n54)[nH]3)ccc12.Cc1[nH]nc2cc(-c3nc(C4C5CC5c5cc(-c6cc(Cl)ccc6-n6cc(C(F)(F)F)nn6)cc(=O)n54)[nH]c3F)ccc12
InChIInChI=1S/C31H23Cl2F2N7O.C29H19ClF4N8O.C27H19ClFN9O/c1-14-2-3-15-8-16(4-6-22(15)36-14)27-29(33)38-31(37-27)28-21-12-20(21)25-9-17(10-26(43)42(25)28)19-11-18(32)5-7-24(19)41-13-23(30(34)35)39-40-41;1-12-16-4-2-13(6-20(16)38-37-12)25-27(31)36-28(35-25)26-19-10-18(19)22-7-14(8-24(43)42(22)26)17-9-15(30)3-5-21(17)41-11-23(39-40-41)29(32,33)34;1-12-15-3-4-16(24(29)25(15)34-33-12)20-10-30-27(32-20)26-19-9-18(19)22-6-13(7-23(39)38(22)26)17-8-14(28)2-5-21(17)37-11-31-35-36-37/h4-11,13,20-21,28,30,36H,1-3,12H2,(H,37,38);2-9,11,18-19,26H,10H2,1H3,(H,35,36)(H,37,38);2-8,10-11,18-19,26H,9H2,1H3,(H,30,32)(H,33,34)
InChIKeyADTGIGJFVGSZJU-UHFFFAOYSA-N
MW1765.41 g/mol
LogP18.06
Rot. Bonds13

About 6-[5-chloro-2-[4-(difluoromethyl)triazol-1-yl]phenyl]-2-[5-chloro-4-(2-methylidene-3,4-dihydro-1H-quinolin-6-yl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-(7-fluoro-3-methyl-2H-indazol-6-yl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-2-[5-fluoro-4-(3-methyl-2H-indazol-6-yl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one

6-[5-chloro-2-[4-(difluoromethyl)triazol-1-yl]phenyl]-2-[5-chloro-4-(2-methylidene-3,4-dihydro-1H-quinolin-6-yl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-(7-fluoro-3-methyl-2H-indazol-6-yl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-2-[5-fluoro-4-(3-methyl-2H-indazol-6-yl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one (PubChem CID 167532496) has the molecular formula C87H61Cl4F7N24O3 and a molecular weight of 1765.41 g/mol. Its IUPAC name is 6-[5-chloro-2-[4-(difluoromethyl)triazol-1-yl]phenyl]-2-[5-chloro-4-(2-methylidene-3,4-dihydro-1H-quinolin-6-yl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-(7-fluoro-3-methyl-2H-indazol-6-yl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-2-[5-fluoro-4-(3-methyl-2H-indazol-6-yl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one.

Molecular Properties

Compound Name6-[5-chloro-2-[4-(difluoromethyl)triazol-1-yl]phenyl]-2-[5-chloro-4-(2-methylidene-3,4-dihydro-1H-quinolin-6-yl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-(7-fluoro-3-methyl-2H-indazol-6-yl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-2-[5-fluoro-4-(3-methyl-2H-indazol-6-yl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one
PubChem CID167532496
Molecular FormulaC87H61Cl4F7N24O3
Molecular Weight1765.41 g/mol
Exact Mass1762.40
IUPAC Name6-[5-chloro-2-[4-(difluoromethyl)triazol-1-yl]phenyl]-2-[5-chloro-4-(2-methylidene-3,4-dihydro-1H-quinolin-6-yl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-(7-fluoro-3-methyl-2H-indazol-6-yl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-2-[5-fluoro-4-(3-methyl-2H-indazol-6-yl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one
SMILESC=C1CCc2cc(-c3nc(C4C5CC5c5cc(-c6cc(Cl)ccc6-n6cc(C(F)F)nn6)cc(=O)n54)[nH]c3Cl)ccc2N1.Cc1[nH]nc2c(F)c(-c3cnc(C4C5CC5c5cc(-c6cc(Cl)ccc6-n6cnnn6)cc(=O)n54)[nH]3)ccc12.Cc1[nH]nc2cc(-c3nc(C4C5CC5c5cc(-c6cc(Cl)ccc6-n6cc(C(F)(F)F)nn6)cc(=O)n54)[nH]c3F)ccc12
InChIInChI=1S/C31H23Cl2F2N7O.C29H19ClF4N8O.C27H19ClFN9O/c1-14-2-3-15-8-16(4-6-22(15)36-14)27-29(33)38-31(37-27)28-21-12-20(21)25-9-17(10-26(43)42(25)28)19-11-18(32)5-7-24(19)41-13-23(30(34)35)39-40-41;1-12-16-4-2-13(6-20(16)38-37-12)25-27(31)36-28(35-25)26-19-10-18(19)22-7-14(8-24(43)42(22)26)17-9-15(30)3-5-21(17)41-11-23(39-40-41)29(32,33)34;1-12-15-3-4-16(24(29)25(15)34-33-12)20-10-30-27(32-20)26-19-9-18(19)22-6-13(7-23(39)38(22)26)17-8-14(28)2-5-21(17)37-11-31-35-36-37/h4-11,13,20-21,28,30,36H,1-3,12H2,(H,37,38);2-9,11,18-19,26H,10H2,1H3,(H,35,36)(H,37,38);2-8,10-11,18-19,26H,9H2,1H3,(H,30,32)(H,33,34)
InChIKeyADTGIGJFVGSZJU-UHFFFAOYSA-N
XLogP18.06
TPSA326.45 Ų
H-Bond Donors6
H-Bond Acceptors22
Rotatable Bonds13
Heavy Atoms125
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001765.41
LogP ≤ 518.06
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1022

Analyze 6-[5-chloro-2-[4-(difluoromethyl)triazol-1-yl]phenyl]-2-[5-chloro-4-(2-methylidene-3,4-dihydro-1H-quinolin-6-yl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-(7-fluoro-3-methyl-2H-indazol-6-yl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-2-[5-fluoro-4-(3-methyl-2H-indazol-6-yl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one with MolForge

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Related Compounds

1-[4-[6-chloro-2-[[2-[4-[6-chloro-7-(5,6-dimethyl-1H-indazol-7-yl)-8-fluoroquinazolin-4-yl]piperazine-1-carbonyl]prop-2-enyl-methylamino]methyl]-8-fluoro-7-(5-methyl-1H-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl]-4-[[6-chloro-8-fluoro-7-(5-methyl-1H-indazol-4-yl)-4-(4-prop-2-enoylpiperazin-1-yl)quinazolin-2-yl]amino]-3-(dimethylamino)-2-methylidenebutan-1-one
CID 132214973
1-[(2R,5S)-4-[6-chloro-7-(3-cyclopropyl-5-methyl-2H-indazol-4-yl)-8-fluoro-2-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-4-yl]-2,5-dimethylpiperazin-1-yl]prop-2-en-1-one;1-[(2R,5S)-4-[6-chloro-7-(1,6-dimethylindazol-7-yl)-8-fluoro-2-[3-(methylamino)azetidin-1-yl]quinazolin-4-yl]-2,5-dimethylpiperazin-1-yl]prop-2-en-1-one;1-[(2R,5S)-4-[6-chloro-7-(1,6-dimethylindazol-7-yl)-8-fluoro-2-[2-(4-methylpiperazin-1-yl)ethoxy]quinazolin-4-yl]-2,5-dimethylpiperazin-1-yl]prop-2-en-1-one;1-[(2R,5S)-4-[7-(1-cyclopropyl-6-methylindazol-7-yl)-2-[3-(dimethylamino)azetidin-1-yl]-8-fluoro-6-(trifluoromethyl)quinazolin-4-yl]-2,5-dimethylpiperazin-1-yl]prop-2-en-1-one;1-[(2R,5S)-4-[2-[3-(dimethylamino)azetidin-1-yl]-7-(1,6-dimethylindazol-7-yl)-8-fluoro-6-(trifluoromethyl)quinazolin-4-yl]-2,5-dimethylpiperazin-1-yl]prop-2-en-1-one
CID 157440814
1-(2-chlorophenyl)-4-propan-2-ylpyrazole;2-chloro-4-propan-2-ylpyridine;1-(2,4-dichlorophenyl)-4-propan-2-ylpyrazole;3,5-dimethyl-1-propan-2-ylcyclohexene;6-ethyl-4-propan-2-yl-1,2,3,6-tetrahydropyridine;4-methyl-1-propan-2-ylcyclohexene;1-propan-2-ylcycloheptene;6-propan-2-ylimidazo[1,5-a]pyridine;4-propan-2-ylisoquinoline;7-propan-2-ylisoquinoline;8-propan-2-ylisoquinoline;3-propan-2-ylpyrazolo[1,5-a]pyridine;2-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine;N-(5-propan-2-yl-2-pyridinyl)acetamide;3-propan-2-ylquinoline;4-propan-2-yl-6-(trifluoromethyl)-1,2,3,6-tetrahydropyridine
CID 157476195
CID 157491628
CID 157491628
CID 157956196
CID 157956196
4-chloro-5-[4-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)amino]pyrido[3,4-d]pyrimidin-2-yl]-1,2-dihydroindazol-3-one;6-chloro-5-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-5,6,7,8-tetrahydroquinolin-2-yl]-1,2-dihydroindazol-3-one;5-[4-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)amino]quinolin-2-yl]-6-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[8-(1H-1,2,4-triazol-5-ylamino)-1,7-naphthyridin-6-yl]-6-(trifluoromethyl)-1,2-dihydroindazol-3-one
CID 158202177
2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-4-(3-fluorophenyl)-1H-benzimidazole;5-[3-[4-(2-fluorophenyl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]pyridin-3-amine;N-[5-[3-[4-(2-fluorophenyl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-methylpropanamide;5-[3-(4-pyridin-3-yl-1H-benzimidazol-2-yl)-1H-indazol-5-yl]pyridin-3-amine
CID 158347967
2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-4-(3-fluorophenyl)-1H-benzimidazole;5-[3-[4-(3-fluorophenyl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]-N,N-dimethylpyridin-3-amine;N-[5-[3-[4-(3-fluorophenyl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclopropanecarboxamide;N-[5-[3-[4-(3-fluorophenyl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-3-methylbutanamide;N-[5-[3-[4-(3-fluorophenyl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]propanamide
CID 158711780
2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-4-(3-fluorophenyl)-1H-benzimidazole;5-[3-[4-(2-fluorophenyl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]pyridin-3-amine;N-[5-[3-[4-(2-fluorophenyl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-methylpropanamide;5-[3-(4-pyridin-3-yl-1H-benzimidazol-2-yl)-1H-indazol-5-yl]pyridin-3-amine;4-pyridin-3-yl-2-(5-pyridin-3-yl-1H-indazol-3-yl)-1H-benzimidazole
CID 158813835
3-[(5-chloro-8-fluoronaphthalen-2-yl)methyl]-2H-pyrazolo[4,3-b]pyridine;3-[(5,8-dichloronaphthalen-2-yl)methyl]-2H-pyrazolo[4,3-b]pyridine;N-[5-(3,3-difluoroazetidin-1-yl)naphthalen-2-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;1-(1,1-difluoroethyl)-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)isoquinolin-6-amine;1-(1,1-difluoroethyl)-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)isoquinolin-6-amine
CID 159055345
2-[4-amino-3-(1H-imidazol-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]-1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]ethanone;1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-[3-(1H-imidazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone;2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]ethanone;(3S)-1-[1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]pyrrolidin-2-one;(3S)-1-[1-(4-chlorophenyl)-5-propan-2-yltriazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]pyrrolidin-2-one
CID 159270168
3-chloro-5-methyl-2H-indazole;7-chloro-5-methyl-1H-indazole;6,8-dimethylquinoline;2,4-dimethyl-6-(trifluoromethyl)pyridine;6-methylcinnoline;6-methylimidazo[1,2-a]pyridine;5-methyl-1H-indazole;6-methylisoquinoline;6-methylquinazolin-2-amine;6-methylquinazoline;6-methylquinoline;6-methylquinoxaline;6-methyl-1,2,3,4-tetrahydroquinoline;6-methyl-[1,2,4]triazolo[1,5-a]pyridine;6-methyl-[1,2,4]triazolo[4,3-a]pyridine;7-methyl-[1,2,4]triazolo[1,5-a]pyridine;tris(2,4,6-trimethylpyridine)
CID 161222129

Frequently Asked Questions

What is the IUPAC name of 6-[5-chloro-2-[4-(difluoromethyl)triazol-1-yl]phenyl]-2-[5-chloro-4-(2-methylidene-3,4-dihydro-1H-quinolin-6-yl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-(7-fluoro-3-methyl-2H-indazol-6-yl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-2-[5-fluoro-4-(3-methyl-2H-indazol-6-yl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one?
The IUPAC name of 6-[5-chloro-2-[4-(difluoromethyl)triazol-1-yl]phenyl]-2-[5-chloro-4-(2-methylidene-3,4-dihydro-1H-quinolin-6-yl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-(7-fluoro-3-methyl-2H-indazol-6-yl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-2-[5-fluoro-4-(3-methyl-2H-indazol-6-yl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one (CID 167532496) is 6-[5-chloro-2-[4-(difluoromethyl)triazol-1-yl]phenyl]-2-[5-chloro-4-(2-methylidene-3,4-dihydro-1H-quinolin-6-yl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-(7-fluoro-3-methyl-2H-indazol-6-yl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-2-[5-fluoro-4-(3-methyl-2H-indazol-6-yl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one.
What is the SMILES notation for 6-[5-chloro-2-[4-(difluoromethyl)triazol-1-yl]phenyl]-2-[5-chloro-4-(2-methylidene-3,4-dihydro-1H-quinolin-6-yl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-(7-fluoro-3-methyl-2H-indazol-6-yl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-2-[5-fluoro-4-(3-methyl-2H-indazol-6-yl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one?
The canonical SMILES for 6-[5-chloro-2-[4-(difluoromethyl)triazol-1-yl]phenyl]-2-[5-chloro-4-(2-methylidene-3,4-dihydro-1H-quinolin-6-yl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-(7-fluoro-3-methyl-2H-indazol-6-yl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-2-[5-fluoro-4-(3-methyl-2H-indazol-6-yl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one is C=C1CCc2cc(-c3nc(C4C5CC5c5cc(-c6cc(Cl)ccc6-n6cc(C(F)F)nn6)cc(=O)n54)[nH]c3Cl)ccc2N1.Cc1[nH]nc2c(F)c(-c3cnc(C4C5CC5c5cc(-c6cc(Cl)ccc6-n6cnnn6)cc(=O)n54)[nH]3)ccc12.Cc1[nH]nc2cc(-c3nc(C4C5CC5c5cc(-c6cc(Cl)ccc6-n6cc(C(F)(F)F)nn6)cc(=O)n54)[nH]c3F)ccc12.
What is the InChIKey of 6-[5-chloro-2-[4-(difluoromethyl)triazol-1-yl]phenyl]-2-[5-chloro-4-(2-methylidene-3,4-dihydro-1H-quinolin-6-yl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-(7-fluoro-3-methyl-2H-indazol-6-yl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-2-[5-fluoro-4-(3-methyl-2H-indazol-6-yl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one?
The InChIKey is ADTGIGJFVGSZJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H23Cl2F2N7O.C29H19ClF4N8O.C27H19ClFN9O/c1-14-2-3-15-8-16(4-6-22(15)36-14)27-29(33)38-31(37-27)28-21-12-20(21)25-9-17(10-26(43)42(25)28)19-11-18(32)5-7-24(19)41-13-23(30(34)35)39-40-41;1-12-16-4-2-13(6-20(16)38-37-12)25-27(31)36-28(35-25)26-19-10-18(19)22-7-14(8-24(43)42(22)26)17-9-15(30)3-5-21(17)41-11-23(39-40-41)29(32,33)34;1-12-15-3-4-16(24(29)25(15)34-33-12)20-10-30-27(32-20)26-19-9-18(19)22-6-13(7-23(39)38(22)26)17-8-14(28)2-5-21(17)37-11-31-35-36-37/h4-11,13,20-21,28,30,36H,1-3,12H2,(H,37,38);2-9,11,18-19,26H,10H2,1H3,(H,35,36)(H,37,38);2-8,10-11,18-19,26H,9H2,1H3,(H,30,32)(H,33,34).
What are the key properties of 6-[5-chloro-2-[4-(difluoromethyl)triazol-1-yl]phenyl]-2-[5-chloro-4-(2-methylidene-3,4-dihydro-1H-quinolin-6-yl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-(7-fluoro-3-methyl-2H-indazol-6-yl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-2-[5-fluoro-4-(3-methyl-2H-indazol-6-yl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one?
6-[5-chloro-2-[4-(difluoromethyl)triazol-1-yl]phenyl]-2-[5-chloro-4-(2-methylidene-3,4-dihydro-1H-quinolin-6-yl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-(7-fluoro-3-methyl-2H-indazol-6-yl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-2-[5-fluoro-4-(3-methyl-2H-indazol-6-yl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one has a molecular weight of 1765.41 g/mol, XLogP of 18.06, 13 rotatable bonds, 6 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-chloro-2-[4-(difluoromethyl)triazol-1-yl]phenyl]-2-[5-chloro-4-(2-methylidene-3,4-dihydro-1H-quinolin-6-yl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-(7-fluoro-3-methyl-2H-indazol-6-yl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-2-[5-fluoro-4-(3-methyl-2H-indazol-6-yl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one is sourced from PubChem (CID 167532496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).