9-[5-chloro-2-[4-(difluoromethyl)triazol-1-yl]phenyl]-5-[4-fluoro-2-(3-methyl-2H-indazol-6-yl)-1H-imidazol-5-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-[4-(difluoromethyl)triazol-1-yl]phenyl]-5-[5-fluoro-4-(3-methyl-2H-indazol-6-yl)-1H-imidazol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-[4-(difluoromethyl)triazol-1-yl]phenyl]-5-[2-(3-methyl-2H-indazol-6-yl)-1H-imidazol-5-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-fluoro-4-(3-methyl-1,2-benzoxazol-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-(3-methyl-1,2-benzoxazol-6-yl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one

C138H95Cl5F9N43O7 — CID 167708796

IUPAC9-[5-chloro-2-[4-(difluoromethyl)triazol-1-yl]phenyl]-5-[4-fluoro-2-(3-methyl-2H-indazol-6-yl)-1H-imidazol-5-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-[4-(difluoromethyl)triazol-1-yl]phenyl]-5-[5-fluoro-4-(3-methyl-2H-indazol-6-yl)-1H-imidazol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-[4-(difluoromethyl)triazol-1-yl]phenyl]-5-[2-(3-methyl-2H-indazol-6-yl)-1H-imidazol-5-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-fluoro-4-(3-methyl-1,2-benzoxazol-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-(3-methyl-1,2-benzoxazol-6-yl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one
SMILESCc1[nH]nc2cc(-c3nc(C4C5CC5c5nc(-c6cc(Cl)ccc6-n6cc(C(F)F)nn6)cc(=O)n54)[nH]c3F)ccc12.Cc1[nH]nc2cc(-c3nc(F)c(C4C5CC5c5nc(-c6cc(Cl)ccc6-n6cc(C(F)F)nn6)cc(=O)n54)[nH]3)ccc12.Cc1[nH]nc2cc(-c3ncc(C4C5CC5c5nc(-c6cc(Cl)ccc6-n6cc(C(F)F)nn6)cc(=O)n54)[nH]3)ccc12.Cc1noc2cc(-c3cnc(C4C5CC5c5cc(-c6cc(Cl)ccc6-n6cnnn6)cc(=O)n54)[nH]3)ccc12.Cc1noc2cc(-c3nc(C4C5CC5c5cc(-c6cc(Cl)ccc6-n6cnnn6)cc(=O)n54)[nH]c3F)ccc12
InChIInChI=1S/2C28H19ClF3N9O.C28H20ClF2N9O.C27H18ClFN8O2.C27H19ClN8O2/c1-11-14-4-2-12(6-19(14)37-36-11)27-34-23(26(32)35-27)24-15-8-16(15)28-33-18(9-22(42)41(24)28)17-7-13(29)3-5-21(17)40-10-20(25(30)31)38-39-40;1-11-14-4-2-12(6-19(14)37-36-11)23-26(32)35-27(34-23)24-15-8-16(15)28-33-18(9-22(42)41(24)28)17-7-13(29)3-5-21(17)40-10-20(25(30)31)38-39-40;1-12-15-4-2-13(6-20(15)36-35-12)27-32-10-21(33-27)25-16-8-17(16)28-34-19(9-24(41)40(25)28)18-7-14(29)3-5-23(18)39-11-22(26(30)31)37-38-39;1-12-16-4-2-13(7-22(16)39-33-12)24-26(29)32-27(31-24)25-19-10-18(19)21-6-14(8-23(38)37(21)25)17-9-15(28)3-5-20(17)36-11-30-34-35-36;1-13-17-4-2-14(7-24(17)38-32-13)21-11-29-27(31-21)26-20-10-19(20)23-6-15(8-25(37)36(23)26)18-9-16(28)3-5-22(18)35-12-30-33-34-35/h2*2-7,9-10,15-16,24-25H,8H2,1H3,(H,34,35)(H,36,37);2-7,9-11,16-17,25-26H,8H2,1H3,(H,32,33)(H,35,36);2-9,11,18-19,25H,10H2,1H3,(H,31,32);2-9,11-12,19-20,26H,10H2,1H3,(H,29,31)
InChIKeyZMWPBWPSZIHICJ-UHFFFAOYSA-N
MW2815.82 g/mol
LogP25.89
Rot. Bonds23

About 9-[5-chloro-2-[4-(difluoromethyl)triazol-1-yl]phenyl]-5-[4-fluoro-2-(3-methyl-2H-indazol-6-yl)-1H-imidazol-5-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-[4-(difluoromethyl)triazol-1-yl]phenyl]-5-[5-fluoro-4-(3-methyl-2H-indazol-6-yl)-1H-imidazol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-[4-(difluoromethyl)triazol-1-yl]phenyl]-5-[2-(3-methyl-2H-indazol-6-yl)-1H-imidazol-5-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-fluoro-4-(3-methyl-1,2-benzoxazol-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-(3-methyl-1,2-benzoxazol-6-yl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one

9-[5-chloro-2-[4-(difluoromethyl)triazol-1-yl]phenyl]-5-[4-fluoro-2-(3-methyl-2H-indazol-6-yl)-1H-imidazol-5-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-[4-(difluoromethyl)triazol-1-yl]phenyl]-5-[5-fluoro-4-(3-methyl-2H-indazol-6-yl)-1H-imidazol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-[4-(difluoromethyl)triazol-1-yl]phenyl]-5-[2-(3-methyl-2H-indazol-6-yl)-1H-imidazol-5-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-fluoro-4-(3-methyl-1,2-benzoxazol-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-(3-methyl-1,2-benzoxazol-6-yl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one (PubChem CID 167708796) has the molecular formula C138H95Cl5F9N43O7 and a molecular weight of 2815.82 g/mol. Its IUPAC name is 9-[5-chloro-2-[4-(difluoromethyl)triazol-1-yl]phenyl]-5-[4-fluoro-2-(3-methyl-2H-indazol-6-yl)-1H-imidazol-5-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-[4-(difluoromethyl)triazol-1-yl]phenyl]-5-[5-fluoro-4-(3-methyl-2H-indazol-6-yl)-1H-imidazol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-[4-(difluoromethyl)triazol-1-yl]phenyl]-5-[2-(3-methyl-2H-indazol-6-yl)-1H-imidazol-5-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-fluoro-4-(3-methyl-1,2-benzoxazol-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-(3-methyl-1,2-benzoxazol-6-yl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one.

Molecular Properties

Compound Name9-[5-chloro-2-[4-(difluoromethyl)triazol-1-yl]phenyl]-5-[4-fluoro-2-(3-methyl-2H-indazol-6-yl)-1H-imidazol-5-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-[4-(difluoromethyl)triazol-1-yl]phenyl]-5-[5-fluoro-4-(3-methyl-2H-indazol-6-yl)-1H-imidazol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-[4-(difluoromethyl)triazol-1-yl]phenyl]-5-[2-(3-methyl-2H-indazol-6-yl)-1H-imidazol-5-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-fluoro-4-(3-methyl-1,2-benzoxazol-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-(3-methyl-1,2-benzoxazol-6-yl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one
PubChem CID167708796
Molecular FormulaC138H95Cl5F9N43O7
Molecular Weight2815.82 g/mol
Exact Mass2811.67
IUPAC Name9-[5-chloro-2-[4-(difluoromethyl)triazol-1-yl]phenyl]-5-[4-fluoro-2-(3-methyl-2H-indazol-6-yl)-1H-imidazol-5-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-[4-(difluoromethyl)triazol-1-yl]phenyl]-5-[5-fluoro-4-(3-methyl-2H-indazol-6-yl)-1H-imidazol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-[4-(difluoromethyl)triazol-1-yl]phenyl]-5-[2-(3-methyl-2H-indazol-6-yl)-1H-imidazol-5-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-fluoro-4-(3-methyl-1,2-benzoxazol-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-(3-methyl-1,2-benzoxazol-6-yl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one
SMILESCc1[nH]nc2cc(-c3nc(C4C5CC5c5nc(-c6cc(Cl)ccc6-n6cc(C(F)F)nn6)cc(=O)n54)[nH]c3F)ccc12.Cc1[nH]nc2cc(-c3nc(F)c(C4C5CC5c5nc(-c6cc(Cl)ccc6-n6cc(C(F)F)nn6)cc(=O)n54)[nH]3)ccc12.Cc1[nH]nc2cc(-c3ncc(C4C5CC5c5nc(-c6cc(Cl)ccc6-n6cc(C(F)F)nn6)cc(=O)n54)[nH]3)ccc12.Cc1noc2cc(-c3cnc(C4C5CC5c5cc(-c6cc(Cl)ccc6-n6cnnn6)cc(=O)n54)[nH]3)ccc12.Cc1noc2cc(-c3nc(C4C5CC5c5cc(-c6cc(Cl)ccc6-n6cnnn6)cc(=O)n54)[nH]c3F)ccc12
InChIInChI=1S/2C28H19ClF3N9O.C28H20ClF2N9O.C27H18ClFN8O2.C27H19ClN8O2/c1-11-14-4-2-12(6-19(14)37-36-11)27-34-23(26(32)35-27)24-15-8-16(15)28-33-18(9-22(42)41(24)28)17-7-13(29)3-5-21(17)40-10-20(25(30)31)38-39-40;1-11-14-4-2-12(6-19(14)37-36-11)23-26(32)35-27(34-23)24-15-8-16(15)28-33-18(9-22(42)41(24)28)17-7-13(29)3-5-21(17)40-10-20(25(30)31)38-39-40;1-12-15-4-2-13(6-20(15)36-35-12)27-32-10-21(33-27)25-16-8-17(16)28-34-19(9-24(41)40(25)28)18-7-14(29)3-5-23(18)39-11-22(26(30)31)37-38-39;1-12-16-4-2-13(7-22(16)39-33-12)24-26(29)32-27(31-24)25-19-10-18(19)21-6-14(8-23(38)37(21)25)17-9-15(28)3-5-20(17)36-11-30-34-35-36;1-13-17-4-2-14(7-24(17)38-32-13)21-11-29-27(31-21)26-20-10-19(20)23-6-15(8-25(37)36(23)26)18-9-16(28)3-5-22(18)35-12-30-33-34-35/h2*2-7,9-10,15-16,24-25H,8H2,1H3,(H,34,35)(H,36,37);2-7,9-11,16-17,25-26H,8H2,1H3,(H,32,33)(H,35,36);2-9,11,18-19,25H,10H2,1H3,(H,31,32);2-9,11-12,19-20,26H,10H2,1H3,(H,29,31)
InChIKeyZMWPBWPSZIHICJ-UHFFFAOYSA-N
XLogP25.89
TPSA609.50 Ų
H-Bond Donors8
H-Bond Acceptors42
Rotatable Bonds23
Heavy Atoms202
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002815.82
LogP ≤ 525.89
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1042

Analyze 9-[5-chloro-2-[4-(difluoromethyl)triazol-1-yl]phenyl]-5-[4-fluoro-2-(3-methyl-2H-indazol-6-yl)-1H-imidazol-5-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-[4-(difluoromethyl)triazol-1-yl]phenyl]-5-[5-fluoro-4-(3-methyl-2H-indazol-6-yl)-1H-imidazol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-[4-(difluoromethyl)triazol-1-yl]phenyl]-5-[2-(3-methyl-2H-indazol-6-yl)-1H-imidazol-5-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-fluoro-4-(3-methyl-1,2-benzoxazol-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-(3-methyl-1,2-benzoxazol-6-yl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one with MolForge

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Related Compounds

(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]-N-[(2S)-4-(3-methyl-2H-indazol-5-yl)-3-oxo-1-phenylbutan-2-yl]prop-2-enamide;(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]-N-[(2S)-4-(7-methyl-2H-indazol-3-yl)-3-oxo-1-phenylbutan-2-yl]prop-2-enamide;(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]-N-[(2S)-3-oxo-1-phenyl-4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]butan-2-yl]prop-2-enamide;(2S)-2-[[(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoyl]amino]-N-(7-methyl-1,2-benzoxazol-3-yl)-3-phenylpropanamide
CID 157363492
3-(1,1-difluoro-2,2-dimethylpropyl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-(1,1-difluoro-2,2-dimethylpropyl)-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-[(4-ethylpiperidin-1-yl)methyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-3-(2,4,4-trimethylpentyl)-1,2-benzoxazol-6-amine;N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-3-(2,4,4-trimethylpentyl)-1,2-benzoxazol-6-amine
CID 157662930
1,2-benzoxazol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(7-chloro-2H-indazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(1-ethyl-6-methylindazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(7-fluoro-2H-indazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(5-fluoro-1-propan-2-ylindazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;[6-methyl-1-(oxetan-3-yl)indazol-3-yl]-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(6-methyl-1-propan-2-ylindazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 158341732
6-chloro-N-(6-methyl-3-pyridinyl)-1,2-benzoxazol-3-amine;6-chloro-N-(6-methyl-3-pyridinyl)-1H-indazol-3-amine;2-cyclopentyl-N-[3-[(6-methyl-3-pyridinyl)amino]-1H-indazol-6-yl]acetamide;6,7-difluoro-N-(6-methyl-3-pyridinyl)-1,2-benzoxazol-3-amine;6,7-difluoro-N-(6-methyl-3-pyridinyl)-1H-indazol-3-amine;7-fluoro-6-methyl-N-(6-methyl-3-pyridinyl)-1H-indazol-3-amine;7-fluoro-3-N-(6-methyl-3-pyridinyl)-6-N-(pyridin-3-ylmethyl)-1,2-benzoxazole-3,6-diamine;7-fluoro-N-(6-methyl-3-pyridinyl)-6-(trifluoromethyl)-1,2-benzoxazol-3-amine;7-fluoro-N-(6-methyl-3-pyridinyl)-6-(trifluoromethyl)-1H-indazol-3-amine
CID 160801013
[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(2-chloro-4-methylphenyl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[1-(2,2-difluoroethyl)-5-methylpyrazol-3-yl]methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[5-(1,1-difluoroethyl)-1-methylpyrazol-3-yl]methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(4-methyl-1H-pyrrol-2-yl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(4-phenylphenyl)methanone
CID 162287480
(6S,7S)-6-[4-(3-amino-1,2-benzoxazol-6-yl)-5-fluoro-1H-imidazol-2-yl]-2-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-7-methyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one
CID 164001336
2-[4-(3-amino-1,2-benzoxazol-6-yl)-5-fluoro-1H-imidazol-2-yl]-6-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one
CID 166047798
2-[4-(3-amino-1,2-benzoxazol-6-yl)-5-fluoro-1H-imidazol-2-yl]-6-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one
CID 167066517
2-[5-(3-amino-1,2-benzoxazol-6-yl)-1H-imidazol-2-yl]-6-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one
CID 167066523
2-[4-(3-amino-1,2-benzoxazol-6-yl)-5-fluoro-1H-imidazol-2-yl]-6-[5-chloro-2-(tetrazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one
CID 167066545
5-[4-(3-amino-1,2-benzoxazol-6-yl)-5-fluoro-1H-imidazol-2-yl]-9-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one
CID 167066732
2-[5-(3-amino-7-fluoro-1,2-benzoxazol-6-yl)-1H-imidazol-2-yl]-6-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one
CID 167066882

Frequently Asked Questions

What is the IUPAC name of 9-[5-chloro-2-[4-(difluoromethyl)triazol-1-yl]phenyl]-5-[4-fluoro-2-(3-methyl-2H-indazol-6-yl)-1H-imidazol-5-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-[4-(difluoromethyl)triazol-1-yl]phenyl]-5-[5-fluoro-4-(3-methyl-2H-indazol-6-yl)-1H-imidazol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-[4-(difluoromethyl)triazol-1-yl]phenyl]-5-[2-(3-methyl-2H-indazol-6-yl)-1H-imidazol-5-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-fluoro-4-(3-methyl-1,2-benzoxazol-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-(3-methyl-1,2-benzoxazol-6-yl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one?
The IUPAC name of 9-[5-chloro-2-[4-(difluoromethyl)triazol-1-yl]phenyl]-5-[4-fluoro-2-(3-methyl-2H-indazol-6-yl)-1H-imidazol-5-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-[4-(difluoromethyl)triazol-1-yl]phenyl]-5-[5-fluoro-4-(3-methyl-2H-indazol-6-yl)-1H-imidazol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-[4-(difluoromethyl)triazol-1-yl]phenyl]-5-[2-(3-methyl-2H-indazol-6-yl)-1H-imidazol-5-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-fluoro-4-(3-methyl-1,2-benzoxazol-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-(3-methyl-1,2-benzoxazol-6-yl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one (CID 167708796) is 9-[5-chloro-2-[4-(difluoromethyl)triazol-1-yl]phenyl]-5-[4-fluoro-2-(3-methyl-2H-indazol-6-yl)-1H-imidazol-5-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-[4-(difluoromethyl)triazol-1-yl]phenyl]-5-[5-fluoro-4-(3-methyl-2H-indazol-6-yl)-1H-imidazol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-[4-(difluoromethyl)triazol-1-yl]phenyl]-5-[2-(3-methyl-2H-indazol-6-yl)-1H-imidazol-5-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-fluoro-4-(3-methyl-1,2-benzoxazol-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-(3-methyl-1,2-benzoxazol-6-yl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one.
What is the SMILES notation for 9-[5-chloro-2-[4-(difluoromethyl)triazol-1-yl]phenyl]-5-[4-fluoro-2-(3-methyl-2H-indazol-6-yl)-1H-imidazol-5-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-[4-(difluoromethyl)triazol-1-yl]phenyl]-5-[5-fluoro-4-(3-methyl-2H-indazol-6-yl)-1H-imidazol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-[4-(difluoromethyl)triazol-1-yl]phenyl]-5-[2-(3-methyl-2H-indazol-6-yl)-1H-imidazol-5-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-fluoro-4-(3-methyl-1,2-benzoxazol-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-(3-methyl-1,2-benzoxazol-6-yl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one?
The canonical SMILES for 9-[5-chloro-2-[4-(difluoromethyl)triazol-1-yl]phenyl]-5-[4-fluoro-2-(3-methyl-2H-indazol-6-yl)-1H-imidazol-5-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-[4-(difluoromethyl)triazol-1-yl]phenyl]-5-[5-fluoro-4-(3-methyl-2H-indazol-6-yl)-1H-imidazol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-[4-(difluoromethyl)triazol-1-yl]phenyl]-5-[2-(3-methyl-2H-indazol-6-yl)-1H-imidazol-5-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-fluoro-4-(3-methyl-1,2-benzoxazol-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-(3-methyl-1,2-benzoxazol-6-yl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one is Cc1[nH]nc2cc(-c3nc(C4C5CC5c5nc(-c6cc(Cl)ccc6-n6cc(C(F)F)nn6)cc(=O)n54)[nH]c3F)ccc12.Cc1[nH]nc2cc(-c3nc(F)c(C4C5CC5c5nc(-c6cc(Cl)ccc6-n6cc(C(F)F)nn6)cc(=O)n54)[nH]3)ccc12.Cc1[nH]nc2cc(-c3ncc(C4C5CC5c5nc(-c6cc(Cl)ccc6-n6cc(C(F)F)nn6)cc(=O)n54)[nH]3)ccc12.Cc1noc2cc(-c3cnc(C4C5CC5c5cc(-c6cc(Cl)ccc6-n6cnnn6)cc(=O)n54)[nH]3)ccc12.Cc1noc2cc(-c3nc(C4C5CC5c5cc(-c6cc(Cl)ccc6-n6cnnn6)cc(=O)n54)[nH]c3F)ccc12.
What is the InChIKey of 9-[5-chloro-2-[4-(difluoromethyl)triazol-1-yl]phenyl]-5-[4-fluoro-2-(3-methyl-2H-indazol-6-yl)-1H-imidazol-5-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-[4-(difluoromethyl)triazol-1-yl]phenyl]-5-[5-fluoro-4-(3-methyl-2H-indazol-6-yl)-1H-imidazol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-[4-(difluoromethyl)triazol-1-yl]phenyl]-5-[2-(3-methyl-2H-indazol-6-yl)-1H-imidazol-5-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-fluoro-4-(3-methyl-1,2-benzoxazol-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-(3-methyl-1,2-benzoxazol-6-yl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one?
The InChIKey is ZMWPBWPSZIHICJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C28H19ClF3N9O.C28H20ClF2N9O.C27H18ClFN8O2.C27H19ClN8O2/c1-11-14-4-2-12(6-19(14)37-36-11)27-34-23(26(32)35-27)24-15-8-16(15)28-33-18(9-22(42)41(24)28)17-7-13(29)3-5-21(17)40-10-20(25(30)31)38-39-40;1-11-14-4-2-12(6-19(14)37-36-11)23-26(32)35-27(34-23)24-15-8-16(15)28-33-18(9-22(42)41(24)28)17-7-13(29)3-5-21(17)40-10-20(25(30)31)38-39-40;1-12-15-4-2-13(6-20(15)36-35-12)27-32-10-21(33-27)25-16-8-17(16)28-34-19(9-24(41)40(25)28)18-7-14(29)3-5-23(18)39-11-22(26(30)31)37-38-39;1-12-16-4-2-13(7-22(16)39-33-12)24-26(29)32-27(31-24)25-19-10-18(19)21-6-14(8-23(38)37(21)25)17-9-15(28)3-5-20(17)36-11-30-34-35-36;1-13-17-4-2-14(7-24(17)38-32-13)21-11-29-27(31-21)26-20-10-19(20)23-6-15(8-25(37)36(23)26)18-9-16(28)3-5-22(18)35-12-30-33-34-35/h2*2-7,9-10,15-16,24-25H,8H2,1H3,(H,34,35)(H,36,37);2-7,9-11,16-17,25-26H,8H2,1H3,(H,32,33)(H,35,36);2-9,11,18-19,25H,10H2,1H3,(H,31,32);2-9,11-12,19-20,26H,10H2,1H3,(H,29,31).
What are the key properties of 9-[5-chloro-2-[4-(difluoromethyl)triazol-1-yl]phenyl]-5-[4-fluoro-2-(3-methyl-2H-indazol-6-yl)-1H-imidazol-5-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-[4-(difluoromethyl)triazol-1-yl]phenyl]-5-[5-fluoro-4-(3-methyl-2H-indazol-6-yl)-1H-imidazol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-[4-(difluoromethyl)triazol-1-yl]phenyl]-5-[2-(3-methyl-2H-indazol-6-yl)-1H-imidazol-5-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-fluoro-4-(3-methyl-1,2-benzoxazol-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-(3-methyl-1,2-benzoxazol-6-yl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one?
9-[5-chloro-2-[4-(difluoromethyl)triazol-1-yl]phenyl]-5-[4-fluoro-2-(3-methyl-2H-indazol-6-yl)-1H-imidazol-5-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-[4-(difluoromethyl)triazol-1-yl]phenyl]-5-[5-fluoro-4-(3-methyl-2H-indazol-6-yl)-1H-imidazol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-[4-(difluoromethyl)triazol-1-yl]phenyl]-5-[2-(3-methyl-2H-indazol-6-yl)-1H-imidazol-5-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-fluoro-4-(3-methyl-1,2-benzoxazol-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-(3-methyl-1,2-benzoxazol-6-yl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one has a molecular weight of 2815.82 g/mol, XLogP of 25.89, 23 rotatable bonds, 8 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[5-chloro-2-[4-(difluoromethyl)triazol-1-yl]phenyl]-5-[4-fluoro-2-(3-methyl-2H-indazol-6-yl)-1H-imidazol-5-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-[4-(difluoromethyl)triazol-1-yl]phenyl]-5-[5-fluoro-4-(3-methyl-2H-indazol-6-yl)-1H-imidazol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-[4-(difluoromethyl)triazol-1-yl]phenyl]-5-[2-(3-methyl-2H-indazol-6-yl)-1H-imidazol-5-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-fluoro-4-(3-methyl-1,2-benzoxazol-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-(3-methyl-1,2-benzoxazol-6-yl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one is sourced from PubChem (CID 167708796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).