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

C144H97Cl5F15N37O10 — CID 167597119

IUPAC6-[5-chloro-2-[4-(difluoromethyl)triazol-1-yl]phenyl]-2-[4-fluoro-2-(3-methyl-1,2-benzoxazol-6-yl)-1H-imidazol-5-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-[4-(difluoromethyl)triazol-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-[4-(difluoromethyl)triazol-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-(trifluoromethyl)triazol-1-yl]phenyl]-5-[4-fluoro-2-(3-methyl-1,2-benzoxazol-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-(trifluoromethyl)triazol-1-yl]phenyl]-5-[2-(3-methyl-1,2-benzoxazol-6-yl)-1H-imidazol-5-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;methane
SMILESC.Cc1noc2cc(-c3cnc(C4C5CC5c5cc(-c6cc(Cl)ccc6-n6cc(C(F)F)nn6)cc(=O)n54)[nH]3)ccc12.Cc1noc2cc(-c3nc(C4C5CC5c5cc(-c6cc(Cl)ccc6-n6cc(C(F)F)nn6)cc(=O)n54)[nH]c3F)ccc12.Cc1noc2cc(-c3nc(F)c(C4C5CC5c5cc(-c6cc(Cl)ccc6-n6cc(C(F)F)nn6)cc(=O)n54)[nH]3)ccc12.Cc1noc2cc(-c3nc(F)c(C4C5CC5c5nc(-c6cc(Cl)ccc6-n6cc(C(F)(F)F)nn6)cc(=O)n54)[nH]3)ccc12.Cc1noc2cc(-c3ncc(C4C5CC5c5nc(-c6cc(Cl)ccc6-n6cc(C(F)(F)F)nn6)cc(=O)n54)[nH]3)ccc12
InChIInChI=1S/2C29H19ClF3N7O2.C29H20ClF2N7O2.C28H17ClF4N8O2.C28H18ClF3N8O2.CH4/c1-12-16-4-2-13(7-23(16)42-37-12)29-34-25(28(33)35-29)26-19-10-18(19)22-6-14(8-24(41)40(22)26)17-9-15(30)3-5-21(17)39-11-20(27(31)32)36-38-39;1-12-16-4-2-13(7-23(16)42-37-12)25-28(33)35-29(34-25)26-19-10-18(19)22-6-14(8-24(41)40(22)26)17-9-15(30)3-5-21(17)39-11-20(27(31)32)36-38-39;1-13-17-4-2-14(7-25(17)41-36-13)21-11-33-29(34-21)27-20-10-19(20)24-6-15(8-26(40)39(24)27)18-9-16(30)3-5-23(18)38-12-22(28(31)32)35-37-38;1-11-14-4-2-12(6-20(14)43-38-11)26-35-23(25(30)36-26)24-15-8-16(15)27-34-18(9-22(42)41(24)27)17-7-13(29)3-5-19(17)40-10-21(37-39-40)28(31,32)33;1-12-15-4-2-13(6-22(15)42-37-12)26-33-10-20(34-26)25-16-8-17(16)27-35-19(9-24(41)40(25)27)18-7-14(29)3-5-21(18)39-11-23(36-38-39)28(30,31)32;/h2*2-9,11,18-19,26-27H,10H2,1H3,(H,34,35);2-9,11-12,19-20,27-28H,10H2,1H3,(H,33,34);2-7,9-10,15-16,24H,8H2,1H3,(H,35,36);2-7,9-11,16-17,25H,8H2,1H3,(H,33,34);1H4
InChIKeyJFKMKFJLFXMDHI-UHFFFAOYSA-N
MW2967.84 g/mol
LogP31.17
Rot. Bonds23

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

6-[5-chloro-2-[4-(difluoromethyl)triazol-1-yl]phenyl]-2-[4-fluoro-2-(3-methyl-1,2-benzoxazol-6-yl)-1H-imidazol-5-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-[4-(difluoromethyl)triazol-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-[4-(difluoromethyl)triazol-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-(trifluoromethyl)triazol-1-yl]phenyl]-5-[4-fluoro-2-(3-methyl-1,2-benzoxazol-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-(trifluoromethyl)triazol-1-yl]phenyl]-5-[2-(3-methyl-1,2-benzoxazol-6-yl)-1H-imidazol-5-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;methane (PubChem CID 167597119) has the molecular formula C144H97Cl5F15N37O10 and a molecular weight of 2967.84 g/mol. Its IUPAC name is 6-[5-chloro-2-[4-(difluoromethyl)triazol-1-yl]phenyl]-2-[4-fluoro-2-(3-methyl-1,2-benzoxazol-6-yl)-1H-imidazol-5-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-[4-(difluoromethyl)triazol-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-[4-(difluoromethyl)triazol-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-(trifluoromethyl)triazol-1-yl]phenyl]-5-[4-fluoro-2-(3-methyl-1,2-benzoxazol-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-(trifluoromethyl)triazol-1-yl]phenyl]-5-[2-(3-methyl-1,2-benzoxazol-6-yl)-1H-imidazol-5-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;methane.

Molecular Properties

Compound Name6-[5-chloro-2-[4-(difluoromethyl)triazol-1-yl]phenyl]-2-[4-fluoro-2-(3-methyl-1,2-benzoxazol-6-yl)-1H-imidazol-5-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-[4-(difluoromethyl)triazol-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-[4-(difluoromethyl)triazol-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-(trifluoromethyl)triazol-1-yl]phenyl]-5-[4-fluoro-2-(3-methyl-1,2-benzoxazol-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-(trifluoromethyl)triazol-1-yl]phenyl]-5-[2-(3-methyl-1,2-benzoxazol-6-yl)-1H-imidazol-5-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;methane
PubChem CID167597119
Molecular FormulaC144H97Cl5F15N37O10
Molecular Weight2967.84 g/mol
Exact Mass2963.64
IUPAC Name6-[5-chloro-2-[4-(difluoromethyl)triazol-1-yl]phenyl]-2-[4-fluoro-2-(3-methyl-1,2-benzoxazol-6-yl)-1H-imidazol-5-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-[4-(difluoromethyl)triazol-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-[4-(difluoromethyl)triazol-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-(trifluoromethyl)triazol-1-yl]phenyl]-5-[4-fluoro-2-(3-methyl-1,2-benzoxazol-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-(trifluoromethyl)triazol-1-yl]phenyl]-5-[2-(3-methyl-1,2-benzoxazol-6-yl)-1H-imidazol-5-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;methane
SMILESC.Cc1noc2cc(-c3cnc(C4C5CC5c5cc(-c6cc(Cl)ccc6-n6cc(C(F)F)nn6)cc(=O)n54)[nH]3)ccc12.Cc1noc2cc(-c3nc(C4C5CC5c5cc(-c6cc(Cl)ccc6-n6cc(C(F)F)nn6)cc(=O)n54)[nH]c3F)ccc12.Cc1noc2cc(-c3nc(F)c(C4C5CC5c5cc(-c6cc(Cl)ccc6-n6cc(C(F)F)nn6)cc(=O)n54)[nH]3)ccc12.Cc1noc2cc(-c3nc(F)c(C4C5CC5c5nc(-c6cc(Cl)ccc6-n6cc(C(F)(F)F)nn6)cc(=O)n54)[nH]3)ccc12.Cc1noc2cc(-c3ncc(C4C5CC5c5nc(-c6cc(Cl)ccc6-n6cc(C(F)(F)F)nn6)cc(=O)n54)[nH]3)ccc12
InChIInChI=1S/2C29H19ClF3N7O2.C29H20ClF2N7O2.C28H17ClF4N8O2.C28H18ClF3N8O2.CH4/c1-12-16-4-2-13(7-23(16)42-37-12)29-34-25(28(33)35-29)26-19-10-18(19)22-6-14(8-24(41)40(22)26)17-9-15(30)3-5-21(17)39-11-20(27(31)32)36-38-39;1-12-16-4-2-13(7-23(16)42-37-12)25-28(33)35-29(34-25)26-19-10-18(19)22-6-14(8-24(41)40(22)26)17-9-15(30)3-5-21(17)39-11-20(27(31)32)36-38-39;1-13-17-4-2-14(7-25(17)41-36-13)21-11-33-29(34-21)27-20-10-19(20)24-6-15(8-26(40)39(24)27)18-9-16(30)3-5-23(18)38-12-22(28(31)32)35-37-38;1-11-14-4-2-12(6-20(14)43-38-11)26-35-23(25(30)36-26)24-15-8-16(15)27-34-18(9-22(42)41(24)27)17-7-13(29)3-5-19(17)40-10-21(37-39-40)28(31,32)33;1-12-15-4-2-13(6-22(15)42-37-12)26-33-10-20(34-26)25-16-8-17(16)27-35-19(9-24(41)40(25)27)18-7-14(29)3-5-21(18)39-11-23(36-38-39)28(30,31)32;/h2*2-9,11,18-19,26-27H,10H2,1H3,(H,34,35);2-9,11-12,19-20,27-28H,10H2,1H3,(H,33,34);2-7,9-10,15-16,24H,8H2,1H3,(H,35,36);2-7,9-11,16-17,25H,8H2,1H3,(H,33,34);1H4
InChIKeyJFKMKFJLFXMDHI-UHFFFAOYSA-N
XLogP31.17
TPSA562.88 Ų
H-Bond Donors5
H-Bond Acceptors42
Rotatable Bonds23
Heavy Atoms211
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002967.84
LogP ≤ 531.17
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1042

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

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Frequently Asked Questions

What is the IUPAC name of 6-[5-chloro-2-[4-(difluoromethyl)triazol-1-yl]phenyl]-2-[4-fluoro-2-(3-methyl-1,2-benzoxazol-6-yl)-1H-imidazol-5-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-[4-(difluoromethyl)triazol-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-[4-(difluoromethyl)triazol-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-(trifluoromethyl)triazol-1-yl]phenyl]-5-[4-fluoro-2-(3-methyl-1,2-benzoxazol-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-(trifluoromethyl)triazol-1-yl]phenyl]-5-[2-(3-methyl-1,2-benzoxazol-6-yl)-1H-imidazol-5-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;methane?
The IUPAC name of 6-[5-chloro-2-[4-(difluoromethyl)triazol-1-yl]phenyl]-2-[4-fluoro-2-(3-methyl-1,2-benzoxazol-6-yl)-1H-imidazol-5-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-[4-(difluoromethyl)triazol-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-[4-(difluoromethyl)triazol-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-(trifluoromethyl)triazol-1-yl]phenyl]-5-[4-fluoro-2-(3-methyl-1,2-benzoxazol-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-(trifluoromethyl)triazol-1-yl]phenyl]-5-[2-(3-methyl-1,2-benzoxazol-6-yl)-1H-imidazol-5-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;methane (CID 167597119) is 6-[5-chloro-2-[4-(difluoromethyl)triazol-1-yl]phenyl]-2-[4-fluoro-2-(3-methyl-1,2-benzoxazol-6-yl)-1H-imidazol-5-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-[4-(difluoromethyl)triazol-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-[4-(difluoromethyl)triazol-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-(trifluoromethyl)triazol-1-yl]phenyl]-5-[4-fluoro-2-(3-methyl-1,2-benzoxazol-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-(trifluoromethyl)triazol-1-yl]phenyl]-5-[2-(3-methyl-1,2-benzoxazol-6-yl)-1H-imidazol-5-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;methane.
What is the SMILES notation for 6-[5-chloro-2-[4-(difluoromethyl)triazol-1-yl]phenyl]-2-[4-fluoro-2-(3-methyl-1,2-benzoxazol-6-yl)-1H-imidazol-5-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-[4-(difluoromethyl)triazol-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-[4-(difluoromethyl)triazol-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-(trifluoromethyl)triazol-1-yl]phenyl]-5-[4-fluoro-2-(3-methyl-1,2-benzoxazol-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-(trifluoromethyl)triazol-1-yl]phenyl]-5-[2-(3-methyl-1,2-benzoxazol-6-yl)-1H-imidazol-5-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;methane?
The canonical SMILES for 6-[5-chloro-2-[4-(difluoromethyl)triazol-1-yl]phenyl]-2-[4-fluoro-2-(3-methyl-1,2-benzoxazol-6-yl)-1H-imidazol-5-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-[4-(difluoromethyl)triazol-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-[4-(difluoromethyl)triazol-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-(trifluoromethyl)triazol-1-yl]phenyl]-5-[4-fluoro-2-(3-methyl-1,2-benzoxazol-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-(trifluoromethyl)triazol-1-yl]phenyl]-5-[2-(3-methyl-1,2-benzoxazol-6-yl)-1H-imidazol-5-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;methane is C.Cc1noc2cc(-c3cnc(C4C5CC5c5cc(-c6cc(Cl)ccc6-n6cc(C(F)F)nn6)cc(=O)n54)[nH]3)ccc12.Cc1noc2cc(-c3nc(C4C5CC5c5cc(-c6cc(Cl)ccc6-n6cc(C(F)F)nn6)cc(=O)n54)[nH]c3F)ccc12.Cc1noc2cc(-c3nc(F)c(C4C5CC5c5cc(-c6cc(Cl)ccc6-n6cc(C(F)F)nn6)cc(=O)n54)[nH]3)ccc12.Cc1noc2cc(-c3nc(F)c(C4C5CC5c5nc(-c6cc(Cl)ccc6-n6cc(C(F)(F)F)nn6)cc(=O)n54)[nH]3)ccc12.Cc1noc2cc(-c3ncc(C4C5CC5c5nc(-c6cc(Cl)ccc6-n6cc(C(F)(F)F)nn6)cc(=O)n54)[nH]3)ccc12.
What is the InChIKey of 6-[5-chloro-2-[4-(difluoromethyl)triazol-1-yl]phenyl]-2-[4-fluoro-2-(3-methyl-1,2-benzoxazol-6-yl)-1H-imidazol-5-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-[4-(difluoromethyl)triazol-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-[4-(difluoromethyl)triazol-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-(trifluoromethyl)triazol-1-yl]phenyl]-5-[4-fluoro-2-(3-methyl-1,2-benzoxazol-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-(trifluoromethyl)triazol-1-yl]phenyl]-5-[2-(3-methyl-1,2-benzoxazol-6-yl)-1H-imidazol-5-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;methane?
The InChIKey is JFKMKFJLFXMDHI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C29H19ClF3N7O2.C29H20ClF2N7O2.C28H17ClF4N8O2.C28H18ClF3N8O2.CH4/c1-12-16-4-2-13(7-23(16)42-37-12)29-34-25(28(33)35-29)26-19-10-18(19)22-6-14(8-24(41)40(22)26)17-9-15(30)3-5-21(17)39-11-20(27(31)32)36-38-39;1-12-16-4-2-13(7-23(16)42-37-12)25-28(33)35-29(34-25)26-19-10-18(19)22-6-14(8-24(41)40(22)26)17-9-15(30)3-5-21(17)39-11-20(27(31)32)36-38-39;1-13-17-4-2-14(7-25(17)41-36-13)21-11-33-29(34-21)27-20-10-19(20)24-6-15(8-26(40)39(24)27)18-9-16(30)3-5-23(18)38-12-22(28(31)32)35-37-38;1-11-14-4-2-12(6-20(14)43-38-11)26-35-23(25(30)36-26)24-15-8-16(15)27-34-18(9-22(42)41(24)27)17-7-13(29)3-5-19(17)40-10-21(37-39-40)28(31,32)33;1-12-15-4-2-13(6-22(15)42-37-12)26-33-10-20(34-26)25-16-8-17(16)27-35-19(9-24(41)40(25)27)18-7-14(29)3-5-21(18)39-11-23(36-38-39)28(30,31)32;/h2*2-9,11,18-19,26-27H,10H2,1H3,(H,34,35);2-9,11-12,19-20,27-28H,10H2,1H3,(H,33,34);2-7,9-10,15-16,24H,8H2,1H3,(H,35,36);2-7,9-11,16-17,25H,8H2,1H3,(H,33,34);1H4.
What are the key properties of 6-[5-chloro-2-[4-(difluoromethyl)triazol-1-yl]phenyl]-2-[4-fluoro-2-(3-methyl-1,2-benzoxazol-6-yl)-1H-imidazol-5-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-[4-(difluoromethyl)triazol-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-[4-(difluoromethyl)triazol-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-(trifluoromethyl)triazol-1-yl]phenyl]-5-[4-fluoro-2-(3-methyl-1,2-benzoxazol-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-(trifluoromethyl)triazol-1-yl]phenyl]-5-[2-(3-methyl-1,2-benzoxazol-6-yl)-1H-imidazol-5-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;methane?
6-[5-chloro-2-[4-(difluoromethyl)triazol-1-yl]phenyl]-2-[4-fluoro-2-(3-methyl-1,2-benzoxazol-6-yl)-1H-imidazol-5-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-[4-(difluoromethyl)triazol-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-[4-(difluoromethyl)triazol-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-(trifluoromethyl)triazol-1-yl]phenyl]-5-[4-fluoro-2-(3-methyl-1,2-benzoxazol-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-(trifluoromethyl)triazol-1-yl]phenyl]-5-[2-(3-methyl-1,2-benzoxazol-6-yl)-1H-imidazol-5-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;methane has a molecular weight of 2967.84 g/mol, XLogP of 31.17, 23 rotatable bonds, 5 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-chloro-2-[4-(difluoromethyl)triazol-1-yl]phenyl]-2-[4-fluoro-2-(3-methyl-1,2-benzoxazol-6-yl)-1H-imidazol-5-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-[4-(difluoromethyl)triazol-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-[4-(difluoromethyl)triazol-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-(trifluoromethyl)triazol-1-yl]phenyl]-5-[4-fluoro-2-(3-methyl-1,2-benzoxazol-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-(trifluoromethyl)triazol-1-yl]phenyl]-5-[2-(3-methyl-1,2-benzoxazol-6-yl)-1H-imidazol-5-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;methane is sourced from PubChem (CID 167597119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).