5,6-dichloro-2-methylidene-1-propan-2-yl-3H-indole;3-(difluoromethyl)-4,4-difluoro-1-propan-2-yl-5,5a,6,6a-tetrahydrocyclopropa[g]indazole;3-(difluoromethyl)-1-propan-2-yl-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazole;3-(difluoromethyl)-1-propan-2-yl-4,5,6,7-tetrahydroindazole;7,7-difluoro-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-indazole;N,N-dimethyl-1-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methanamine;4-ethenyl-1-methyl-3-(trifluoromethyl)pyrazole;4-ethenyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;3-methyl-1-propan-2-ylindazol-6-ol;1-propan-2-yl-7H-pyrrolo[2,3-b]pyridin-6-one;1-propan-2-yl-3-(trifluoromethyl)pyrazole-4-carboxamide;1-[[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methyl]piperidine;bis(1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole)

C148H192Cl2F34N30O3 — CID 158733893

IUPAC5,6-dichloro-2-methylidene-1-propan-2-yl-3H-indole;3-(difluoromethyl)-4,4-difluoro-1-propan-2-yl-5,5a,6,6a-tetrahydrocyclopropa[g]indazole;3-(difluoromethyl)-1-propan-2-yl-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazole;3-(difluoromethyl)-1-propan-2-yl-4,5,6,7-tetrahydroindazole;7,7-difluoro-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-indazole;N,N-dimethyl-1-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methanamine;4-ethenyl-1-methyl-3-(trifluoromethyl)pyrazole;4-ethenyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;3-methyl-1-propan-2-ylindazol-6-ol;1-propan-2-yl-7H-pyrrolo[2,3-b]pyridin-6-one;1-propan-2-yl-3-(trifluoromethyl)pyrazole-4-carboxamide;1-[[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methyl]piperidine;bis(1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole)
SMILESC=C1Cc2cc(Cl)c(Cl)cc2N1C(C)C.C=Cc1cn(C(C)C)nc1C(F)(F)F.C=Cc1cn(C)nc1C(F)(F)F.CC(C)n1cc(C(N)=O)c(C(F)(F)F)n1.CC(C)n1cc(CN(C)C)c(C(F)(F)F)n1.CC(C)n1cc(CN2CCCCC2)c(C(F)(F)F)n1.CC(C)n1ccc2ccc(=O)[nH]c21.CC(C)n1nc(C(F)(F)F)c2c1C(F)(F)CCC2.CC(C)n1nc(C(F)(F)F)c2c1CCCC2.CC(C)n1nc(C(F)(F)F)c2c1CCCC2.CC(C)n1nc(C(F)F)c2c1C1CC1CC2.CC(C)n1nc(C(F)F)c2c1C1CC1CC2(F)F.CC(C)n1nc(C(F)F)c2c1CCCC2.Cc1nn(C(C)C)c2cc(O)ccc12
InChIInChI=1S/C13H20F3N3.C12H13Cl2N.C12H14F4N2.C12H16F2N2.C11H13F5N2.2C11H15F3N2.C11H16F2N2.C11H14N2O.C10H16F3N3.C10H12N2O.C9H11F3N2.C8H10F3N3O.C7H7F3N2/c1-10(2)19-9-11(12(17-19)13(14,15)16)8-18-6-4-3-5-7-18;1-7(2)15-8(3)4-9-5-10(13)11(14)6-12(9)15;1-5(2)18-10-7-3-6(7)4-12(15,16)8(10)9(17-18)11(13)14;1-6(2)16-11-8(10(15-16)12(13)14)4-3-7-5-9(7)11;1-6(2)18-9-7(4-3-5-10(9,12)13)8(17-18)11(14,15)16;2*1-7(2)16-9-6-4-3-5-8(9)10(15-16)11(12,13)14;1-7(2)15-9-6-4-3-5-8(9)10(14-15)11(12)13;1-7(2)13-11-6-9(14)4-5-10(11)8(3)12-13;1-7(2)16-6-8(5-15(3)4)9(14-16)10(11,12)13;1-7(2)12-6-5-8-3-4-9(13)11-10(8)12;1-4-7-5-14(6(2)3)13-8(7)9(10,11)12;1-4(2)14-3-5(7(12)15)6(13-14)8(9,10)11;1-3-5-4-12(2)11-6(5)7(8,9)10/h9-10H,3-8H2,1-2H3;5-7H,3-4H2,1-2H3;5-7,11H,3-4H2,1-2H3;6-7,9,12H,3-5H2,1-2H3;6H,3-5H2,1-2H3;2*7H,3-6H2,1-2H3;7,11H,3-6H2,1-2H3;4-7,14H,1-3H3;6-7H,5H2,1-4H3;3-7H,1-2H3,(H,11,13);4-6H,1H2,2-3H3;3-4H,1-2H3,(H2,12,15);3-4H,1H2,2H3
InChIKeyILKXMULSSCSFKI-UHFFFAOYSA-N
MW3156.21 g/mol
LogP42.99
Rot. Bonds23

About 5,6-dichloro-2-methylidene-1-propan-2-yl-3H-indole;3-(difluoromethyl)-4,4-difluoro-1-propan-2-yl-5,5a,6,6a-tetrahydrocyclopropa[g]indazole;3-(difluoromethyl)-1-propan-2-yl-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazole;3-(difluoromethyl)-1-propan-2-yl-4,5,6,7-tetrahydroindazole;7,7-difluoro-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-indazole;N,N-dimethyl-1-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methanamine;4-ethenyl-1-methyl-3-(trifluoromethyl)pyrazole;4-ethenyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;3-methyl-1-propan-2-ylindazol-6-ol;1-propan-2-yl-7H-pyrrolo[2,3-b]pyridin-6-one;1-propan-2-yl-3-(trifluoromethyl)pyrazole-4-carboxamide;1-[[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methyl]piperidine;bis(1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole)

5,6-dichloro-2-methylidene-1-propan-2-yl-3H-indole;3-(difluoromethyl)-4,4-difluoro-1-propan-2-yl-5,5a,6,6a-tetrahydrocyclopropa[g]indazole;3-(difluoromethyl)-1-propan-2-yl-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazole;3-(difluoromethyl)-1-propan-2-yl-4,5,6,7-tetrahydroindazole;7,7-difluoro-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-indazole;N,N-dimethyl-1-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methanamine;4-ethenyl-1-methyl-3-(trifluoromethyl)pyrazole;4-ethenyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;3-methyl-1-propan-2-ylindazol-6-ol;1-propan-2-yl-7H-pyrrolo[2,3-b]pyridin-6-one;1-propan-2-yl-3-(trifluoromethyl)pyrazole-4-carboxamide;1-[[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methyl]piperidine;bis(1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole) (PubChem CID 158733893) has the molecular formula C148H192Cl2F34N30O3 and a molecular weight of 3156.21 g/mol. Its IUPAC name is 5,6-dichloro-2-methylidene-1-propan-2-yl-3H-indole;3-(difluoromethyl)-4,4-difluoro-1-propan-2-yl-5,5a,6,6a-tetrahydrocyclopropa[g]indazole;3-(difluoromethyl)-1-propan-2-yl-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazole;3-(difluoromethyl)-1-propan-2-yl-4,5,6,7-tetrahydroindazole;7,7-difluoro-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-indazole;N,N-dimethyl-1-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methanamine;4-ethenyl-1-methyl-3-(trifluoromethyl)pyrazole;4-ethenyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;3-methyl-1-propan-2-ylindazol-6-ol;1-propan-2-yl-7H-pyrrolo[2,3-b]pyridin-6-one;1-propan-2-yl-3-(trifluoromethyl)pyrazole-4-carboxamide;1-[[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methyl]piperidine;bis(1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole).

Molecular Properties

Compound Name5,6-dichloro-2-methylidene-1-propan-2-yl-3H-indole;3-(difluoromethyl)-4,4-difluoro-1-propan-2-yl-5,5a,6,6a-tetrahydrocyclopropa[g]indazole;3-(difluoromethyl)-1-propan-2-yl-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazole;3-(difluoromethyl)-1-propan-2-yl-4,5,6,7-tetrahydroindazole;7,7-difluoro-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-indazole;N,N-dimethyl-1-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methanamine;4-ethenyl-1-methyl-3-(trifluoromethyl)pyrazole;4-ethenyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;3-methyl-1-propan-2-ylindazol-6-ol;1-propan-2-yl-7H-pyrrolo[2,3-b]pyridin-6-one;1-propan-2-yl-3-(trifluoromethyl)pyrazole-4-carboxamide;1-[[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methyl]piperidine;bis(1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole)
PubChem CID158733893
Molecular FormulaC148H192Cl2F34N30O3
Molecular Weight3156.21 g/mol
Exact Mass3153.46
IUPAC Name5,6-dichloro-2-methylidene-1-propan-2-yl-3H-indole;3-(difluoromethyl)-4,4-difluoro-1-propan-2-yl-5,5a,6,6a-tetrahydrocyclopropa[g]indazole;3-(difluoromethyl)-1-propan-2-yl-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazole;3-(difluoromethyl)-1-propan-2-yl-4,5,6,7-tetrahydroindazole;7,7-difluoro-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-indazole;N,N-dimethyl-1-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methanamine;4-ethenyl-1-methyl-3-(trifluoromethyl)pyrazole;4-ethenyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;3-methyl-1-propan-2-ylindazol-6-ol;1-propan-2-yl-7H-pyrrolo[2,3-b]pyridin-6-one;1-propan-2-yl-3-(trifluoromethyl)pyrazole-4-carboxamide;1-[[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methyl]piperidine;bis(1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole)
SMILESC=C1Cc2cc(Cl)c(Cl)cc2N1C(C)C.C=Cc1cn(C(C)C)nc1C(F)(F)F.C=Cc1cn(C)nc1C(F)(F)F.CC(C)n1cc(C(N)=O)c(C(F)(F)F)n1.CC(C)n1cc(CN(C)C)c(C(F)(F)F)n1.CC(C)n1cc(CN2CCCCC2)c(C(F)(F)F)n1.CC(C)n1ccc2ccc(=O)[nH]c21.CC(C)n1nc(C(F)(F)F)c2c1C(F)(F)CCC2.CC(C)n1nc(C(F)(F)F)c2c1CCCC2.CC(C)n1nc(C(F)(F)F)c2c1CCCC2.CC(C)n1nc(C(F)F)c2c1C1CC1CC2.CC(C)n1nc(C(F)F)c2c1C1CC1CC2(F)F.CC(C)n1nc(C(F)F)c2c1CCCC2.Cc1nn(C(C)C)c2cc(O)ccc12
InChIInChI=1S/C13H20F3N3.C12H13Cl2N.C12H14F4N2.C12H16F2N2.C11H13F5N2.2C11H15F3N2.C11H16F2N2.C11H14N2O.C10H16F3N3.C10H12N2O.C9H11F3N2.C8H10F3N3O.C7H7F3N2/c1-10(2)19-9-11(12(17-19)13(14,15)16)8-18-6-4-3-5-7-18;1-7(2)15-8(3)4-9-5-10(13)11(14)6-12(9)15;1-5(2)18-10-7-3-6(7)4-12(15,16)8(10)9(17-18)11(13)14;1-6(2)16-11-8(10(15-16)12(13)14)4-3-7-5-9(7)11;1-6(2)18-9-7(4-3-5-10(9,12)13)8(17-18)11(14,15)16;2*1-7(2)16-9-6-4-3-5-8(9)10(15-16)11(12,13)14;1-7(2)15-9-6-4-3-5-8(9)10(14-15)11(12)13;1-7(2)13-11-6-9(14)4-5-10(11)8(3)12-13;1-7(2)16-6-8(5-15(3)4)9(14-16)10(11,12)13;1-7(2)12-6-5-8-3-4-9(13)11-10(8)12;1-4-7-5-14(6(2)3)13-8(7)9(10,11)12;1-4(2)14-3-5(7(12)15)6(13-14)8(9,10)11;1-3-5-4-12(2)11-6(5)7(8,9)10/h9-10H,3-8H2,1-2H3;5-7H,3-4H2,1-2H3;5-7,11H,3-4H2,1-2H3;6-7,9,12H,3-5H2,1-2H3;6H,3-5H2,1-2H3;2*7H,3-6H2,1-2H3;7,11H,3-6H2,1-2H3;4-7,14H,1-3H3;6-7H,5H2,1-4H3;3-7H,1-2H3,(H,11,13);4-6H,1H2,2-3H3;3-4H,1-2H3,(H2,12,15);3-4H,1H2,2H3
InChIKeyILKXMULSSCSFKI-UHFFFAOYSA-N
XLogP42.99
TPSA324.67 Ų
H-Bond Donors3
H-Bond Acceptors31
Rotatable Bonds23
Heavy Atoms217
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003156.21
LogP ≤ 542.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1031

Analyze 5,6-dichloro-2-methylidene-1-propan-2-yl-3H-indole;3-(difluoromethyl)-4,4-difluoro-1-propan-2-yl-5,5a,6,6a-tetrahydrocyclopropa[g]indazole;3-(difluoromethyl)-1-propan-2-yl-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazole;3-(difluoromethyl)-1-propan-2-yl-4,5,6,7-tetrahydroindazole;7,7-difluoro-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-indazole;N,N-dimethyl-1-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methanamine;4-ethenyl-1-methyl-3-(trifluoromethyl)pyrazole;4-ethenyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;3-methyl-1-propan-2-ylindazol-6-ol;1-propan-2-yl-7H-pyrrolo[2,3-b]pyridin-6-one;1-propan-2-yl-3-(trifluoromethyl)pyrazole-4-carboxamide;1-[[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methyl]piperidine;bis(1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-2-methylidene-1-propan-2-yl-3H-indole;3-(difluoromethyl)-4,4-difluoro-1-propan-2-yl-5,5a,6,6a-tetrahydrocyclopropa[g]indazole;3-(difluoromethyl)-1-propan-2-yl-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazole;3-(difluoromethyl)-1-propan-2-yl-4,5,6,7-tetrahydroindazole;7,7-difluoro-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-indazole;N,N-dimethyl-1-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methanamine;4-ethenyl-1-methyl-3-(trifluoromethyl)pyrazole;4-ethenyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;3-methyl-1-propan-2-ylindazol-6-ol;1-propan-2-yl-7H-pyrrolo[2,3-b]pyridin-6-one;1-propan-2-yl-3-(trifluoromethyl)pyrazole-4-carboxamide;1-[[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methyl]piperidine;bis(1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole)?
The IUPAC name of 5,6-dichloro-2-methylidene-1-propan-2-yl-3H-indole;3-(difluoromethyl)-4,4-difluoro-1-propan-2-yl-5,5a,6,6a-tetrahydrocyclopropa[g]indazole;3-(difluoromethyl)-1-propan-2-yl-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazole;3-(difluoromethyl)-1-propan-2-yl-4,5,6,7-tetrahydroindazole;7,7-difluoro-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-indazole;N,N-dimethyl-1-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methanamine;4-ethenyl-1-methyl-3-(trifluoromethyl)pyrazole;4-ethenyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;3-methyl-1-propan-2-ylindazol-6-ol;1-propan-2-yl-7H-pyrrolo[2,3-b]pyridin-6-one;1-propan-2-yl-3-(trifluoromethyl)pyrazole-4-carboxamide;1-[[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methyl]piperidine;bis(1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole) (CID 158733893) is 5,6-dichloro-2-methylidene-1-propan-2-yl-3H-indole;3-(difluoromethyl)-4,4-difluoro-1-propan-2-yl-5,5a,6,6a-tetrahydrocyclopropa[g]indazole;3-(difluoromethyl)-1-propan-2-yl-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazole;3-(difluoromethyl)-1-propan-2-yl-4,5,6,7-tetrahydroindazole;7,7-difluoro-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-indazole;N,N-dimethyl-1-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methanamine;4-ethenyl-1-methyl-3-(trifluoromethyl)pyrazole;4-ethenyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;3-methyl-1-propan-2-ylindazol-6-ol;1-propan-2-yl-7H-pyrrolo[2,3-b]pyridin-6-one;1-propan-2-yl-3-(trifluoromethyl)pyrazole-4-carboxamide;1-[[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methyl]piperidine;bis(1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole).
What is the SMILES notation for 5,6-dichloro-2-methylidene-1-propan-2-yl-3H-indole;3-(difluoromethyl)-4,4-difluoro-1-propan-2-yl-5,5a,6,6a-tetrahydrocyclopropa[g]indazole;3-(difluoromethyl)-1-propan-2-yl-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazole;3-(difluoromethyl)-1-propan-2-yl-4,5,6,7-tetrahydroindazole;7,7-difluoro-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-indazole;N,N-dimethyl-1-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methanamine;4-ethenyl-1-methyl-3-(trifluoromethyl)pyrazole;4-ethenyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;3-methyl-1-propan-2-ylindazol-6-ol;1-propan-2-yl-7H-pyrrolo[2,3-b]pyridin-6-one;1-propan-2-yl-3-(trifluoromethyl)pyrazole-4-carboxamide;1-[[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methyl]piperidine;bis(1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole)?
The canonical SMILES for 5,6-dichloro-2-methylidene-1-propan-2-yl-3H-indole;3-(difluoromethyl)-4,4-difluoro-1-propan-2-yl-5,5a,6,6a-tetrahydrocyclopropa[g]indazole;3-(difluoromethyl)-1-propan-2-yl-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazole;3-(difluoromethyl)-1-propan-2-yl-4,5,6,7-tetrahydroindazole;7,7-difluoro-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-indazole;N,N-dimethyl-1-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methanamine;4-ethenyl-1-methyl-3-(trifluoromethyl)pyrazole;4-ethenyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;3-methyl-1-propan-2-ylindazol-6-ol;1-propan-2-yl-7H-pyrrolo[2,3-b]pyridin-6-one;1-propan-2-yl-3-(trifluoromethyl)pyrazole-4-carboxamide;1-[[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methyl]piperidine;bis(1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole) is C=C1Cc2cc(Cl)c(Cl)cc2N1C(C)C.C=Cc1cn(C(C)C)nc1C(F)(F)F.C=Cc1cn(C)nc1C(F)(F)F.CC(C)n1cc(C(N)=O)c(C(F)(F)F)n1.CC(C)n1cc(CN(C)C)c(C(F)(F)F)n1.CC(C)n1cc(CN2CCCCC2)c(C(F)(F)F)n1.CC(C)n1ccc2ccc(=O)[nH]c21.CC(C)n1nc(C(F)(F)F)c2c1C(F)(F)CCC2.CC(C)n1nc(C(F)(F)F)c2c1CCCC2.CC(C)n1nc(C(F)(F)F)c2c1CCCC2.CC(C)n1nc(C(F)F)c2c1C1CC1CC2.CC(C)n1nc(C(F)F)c2c1C1CC1CC2(F)F.CC(C)n1nc(C(F)F)c2c1CCCC2.Cc1nn(C(C)C)c2cc(O)ccc12.
What is the InChIKey of 5,6-dichloro-2-methylidene-1-propan-2-yl-3H-indole;3-(difluoromethyl)-4,4-difluoro-1-propan-2-yl-5,5a,6,6a-tetrahydrocyclopropa[g]indazole;3-(difluoromethyl)-1-propan-2-yl-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazole;3-(difluoromethyl)-1-propan-2-yl-4,5,6,7-tetrahydroindazole;7,7-difluoro-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-indazole;N,N-dimethyl-1-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methanamine;4-ethenyl-1-methyl-3-(trifluoromethyl)pyrazole;4-ethenyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;3-methyl-1-propan-2-ylindazol-6-ol;1-propan-2-yl-7H-pyrrolo[2,3-b]pyridin-6-one;1-propan-2-yl-3-(trifluoromethyl)pyrazole-4-carboxamide;1-[[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methyl]piperidine;bis(1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole)?
The InChIKey is ILKXMULSSCSFKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3N3.C12H13Cl2N.C12H14F4N2.C12H16F2N2.C11H13F5N2.2C11H15F3N2.C11H16F2N2.C11H14N2O.C10H16F3N3.C10H12N2O.C9H11F3N2.C8H10F3N3O.C7H7F3N2/c1-10(2)19-9-11(12(17-19)13(14,15)16)8-18-6-4-3-5-7-18;1-7(2)15-8(3)4-9-5-10(13)11(14)6-12(9)15;1-5(2)18-10-7-3-6(7)4-12(15,16)8(10)9(17-18)11(13)14;1-6(2)16-11-8(10(15-16)12(13)14)4-3-7-5-9(7)11;1-6(2)18-9-7(4-3-5-10(9,12)13)8(17-18)11(14,15)16;2*1-7(2)16-9-6-4-3-5-8(9)10(15-16)11(12,13)14;1-7(2)15-9-6-4-3-5-8(9)10(14-15)11(12)13;1-7(2)13-11-6-9(14)4-5-10(11)8(3)12-13;1-7(2)16-6-8(5-15(3)4)9(14-16)10(11,12)13;1-7(2)12-6-5-8-3-4-9(13)11-10(8)12;1-4-7-5-14(6(2)3)13-8(7)9(10,11)12;1-4(2)14-3-5(7(12)15)6(13-14)8(9,10)11;1-3-5-4-12(2)11-6(5)7(8,9)10/h9-10H,3-8H2,1-2H3;5-7H,3-4H2,1-2H3;5-7,11H,3-4H2,1-2H3;6-7,9,12H,3-5H2,1-2H3;6H,3-5H2,1-2H3;2*7H,3-6H2,1-2H3;7,11H,3-6H2,1-2H3;4-7,14H,1-3H3;6-7H,5H2,1-4H3;3-7H,1-2H3,(H,11,13);4-6H,1H2,2-3H3;3-4H,1-2H3,(H2,12,15);3-4H,1H2,2H3.
What are the key properties of 5,6-dichloro-2-methylidene-1-propan-2-yl-3H-indole;3-(difluoromethyl)-4,4-difluoro-1-propan-2-yl-5,5a,6,6a-tetrahydrocyclopropa[g]indazole;3-(difluoromethyl)-1-propan-2-yl-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazole;3-(difluoromethyl)-1-propan-2-yl-4,5,6,7-tetrahydroindazole;7,7-difluoro-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-indazole;N,N-dimethyl-1-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methanamine;4-ethenyl-1-methyl-3-(trifluoromethyl)pyrazole;4-ethenyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;3-methyl-1-propan-2-ylindazol-6-ol;1-propan-2-yl-7H-pyrrolo[2,3-b]pyridin-6-one;1-propan-2-yl-3-(trifluoromethyl)pyrazole-4-carboxamide;1-[[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methyl]piperidine;bis(1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole)?
5,6-dichloro-2-methylidene-1-propan-2-yl-3H-indole;3-(difluoromethyl)-4,4-difluoro-1-propan-2-yl-5,5a,6,6a-tetrahydrocyclopropa[g]indazole;3-(difluoromethyl)-1-propan-2-yl-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazole;3-(difluoromethyl)-1-propan-2-yl-4,5,6,7-tetrahydroindazole;7,7-difluoro-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-indazole;N,N-dimethyl-1-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methanamine;4-ethenyl-1-methyl-3-(trifluoromethyl)pyrazole;4-ethenyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;3-methyl-1-propan-2-ylindazol-6-ol;1-propan-2-yl-7H-pyrrolo[2,3-b]pyridin-6-one;1-propan-2-yl-3-(trifluoromethyl)pyrazole-4-carboxamide;1-[[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methyl]piperidine;bis(1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole) has a molecular weight of 3156.21 g/mol, XLogP of 42.99, 23 rotatable bonds, 3 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-2-methylidene-1-propan-2-yl-3H-indole;3-(difluoromethyl)-4,4-difluoro-1-propan-2-yl-5,5a,6,6a-tetrahydrocyclopropa[g]indazole;3-(difluoromethyl)-1-propan-2-yl-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazole;3-(difluoromethyl)-1-propan-2-yl-4,5,6,7-tetrahydroindazole;7,7-difluoro-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-indazole;N,N-dimethyl-1-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methanamine;4-ethenyl-1-methyl-3-(trifluoromethyl)pyrazole;4-ethenyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;3-methyl-1-propan-2-ylindazol-6-ol;1-propan-2-yl-7H-pyrrolo[2,3-b]pyridin-6-one;1-propan-2-yl-3-(trifluoromethyl)pyrazole-4-carboxamide;1-[[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methyl]piperidine;bis(1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole) is sourced from PubChem (CID 158733893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).