tert-butyl 1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;2-chloro-7-propan-2-ylpyrrolo[2,3-d]pyrimidine;3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydrofuro[3,4-d]pyrazole;3-(1,1-difluoroethyl)-1-propan-2-yl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole 5,5-dioxide;9-(difluoromethyl)-5-methyl-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;4,7-dimethyl-2-methylidene-3-propan-2-yl-1,3-dihydroindole;5-fluoro-1-propan-2-yl-3-(trifluoromethyl)indazole;6-methoxy-2-methylidene-3-propan-2-yl-1,3-dihydroindole;2-methylidene-4-propan-2-yl-1,3-dihydroquinoxaline;7-methylidene-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-indazole;5-methyl-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole;4-methyl-1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole;1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,3-c]pyridin-4-one;2-propan-2-yl-3-(trifluoromethyl)-4,6-dihydrothieno[3,4-c]pyrazole

C161H210ClF28N29O7S2 — CID 158331542

IUPACtert-butyl 1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;2-chloro-7-propan-2-ylpyrrolo[2,3-d]pyrimidine;3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydrofuro[3,4-d]pyrazole;3-(1,1-difluoroethyl)-1-propan-2-yl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole 5,5-dioxide;9-(difluoromethyl)-5-methyl-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;4,7-dimethyl-2-methylidene-3-propan-2-yl-1,3-dihydroindole;5-fluoro-1-propan-2-yl-3-(trifluoromethyl)indazole;6-methoxy-2-methylidene-3-propan-2-yl-1,3-dihydroindole;2-methylidene-4-propan-2-yl-1,3-dihydroquinoxaline;7-methylidene-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-indazole;5-methyl-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole;4-methyl-1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole;1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,3-c]pyridin-4-one;2-propan-2-yl-3-(trifluoromethyl)-4,6-dihydrothieno[3,4-c]pyrazole
SMILESC=C1CCCc2c(C(F)(F)F)nn(C(C)C)c21.C=C1CN(C(C)C)c2ccccc2N1.C=C1Nc2c(C)ccc(C)c2C1C(C)C.C=C1Nc2cc(OC)ccc2C1C(C)C.CC(C)n1ccc2cnc(Cl)nc21.CC(C)n1nc(C(C)(F)F)c2c1CCS(=O)(=O)C2.CC(C)n1nc(C(C)(F)F)c2c1COC2.CC(C)n1nc(C(F)(F)F)c2c1CCN(C(=O)OC(C)(C)C)C2.CC(C)n1nc(C(F)(F)F)c2c1CCNC2=O.CC(C)n1nc(C(F)(F)F)c2cc(F)ccc21.CC(C)n1nc2c(c1C(F)(F)F)CSC2.CC1CCCc2c1c(C(F)(F)F)nn2C(C)C.CC1Cc2c(C(F)(F)F)nn(C(C)C)c2C1.CC1c2c(c(C(F)F)nn2C(C)C)C2CC12
InChIInChI=1S/C15H22F3N3O2.C14H19N.C13H17NO.C12H17F3N2.C12H15F3N2.C12H16F2N2.C12H16N2.C11H10F4N2.C11H15F3N2.C11H16F2N2O2S.C10H12F3N3O.C10H14F2N2O.C9H10ClN3.C9H11F3N2S/c1-9(2)21-11-6-7-20(13(22)23-14(3,4)5)8-10(11)12(19-21)15(16,17)18;1-8(2)12-11(5)15-14-10(4)7-6-9(3)13(12)14;1-8(2)13-9(3)14-12-7-10(15-4)5-6-11(12)13;1-7(2)17-9-6-4-5-8(3)10(9)11(16-17)12(13,14)15;1-7(2)17-10-8(3)5-4-6-9(10)11(16-17)12(13,14)15;1-5(2)16-11-6(3)7-4-8(7)9(11)10(15-16)12(13)14;1-9(2)14-8-10(3)13-11-6-4-5-7-12(11)14;1-6(2)17-9-4-3-7(12)5-8(9)10(16-17)11(13,14)15;1-6(2)16-9-5-7(3)4-8(9)10(15-16)11(12,13)14;1-7(2)15-9-4-5-18(16,17)6-8(9)10(14-15)11(3,12)13;1-5(2)16-6-3-4-14-9(17)7(6)8(15-16)10(11,12)13;1-6(2)14-8-5-15-4-7(8)9(13-14)10(3,11)12;1-6(2)13-4-3-7-5-11-9(10)12-8(7)13;1-5(2)14-8(9(10,11)12)6-3-15-4-7(6)13-14/h9H,6-8H2,1-5H3;6-8,12,15H,5H2,1-4H3;5-8,13-14H,3H2,1-2,4H3;7-8H,4-6H2,1-3H3;7H,3-6H2,1-2H3;5-8,12H,4H2,1-3H3;4-7,9,13H,3,8H2,1-2H3;3-6H,1-2H3;6-7H,4-5H2,1-3H3;7H,4-6H2,1-3H3;5H,3-4H2,1-2H3,(H,14,17);6H,4-5H2,1-3H3;3-6H,1-2H3;5H,3-4H2,1-2H3
InChIKeyGQBOGIHRNNPGMV-UHFFFAOYSA-N
MW3295.18 g/mol
LogP44.66
Rot. Bonds18

About tert-butyl 1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;2-chloro-7-propan-2-ylpyrrolo[2,3-d]pyrimidine;3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydrofuro[3,4-d]pyrazole;3-(1,1-difluoroethyl)-1-propan-2-yl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole 5,5-dioxide;9-(difluoromethyl)-5-methyl-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;4,7-dimethyl-2-methylidene-3-propan-2-yl-1,3-dihydroindole;5-fluoro-1-propan-2-yl-3-(trifluoromethyl)indazole;6-methoxy-2-methylidene-3-propan-2-yl-1,3-dihydroindole;2-methylidene-4-propan-2-yl-1,3-dihydroquinoxaline;7-methylidene-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-indazole;5-methyl-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole;4-methyl-1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole;1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,3-c]pyridin-4-one;2-propan-2-yl-3-(trifluoromethyl)-4,6-dihydrothieno[3,4-c]pyrazole

tert-butyl 1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;2-chloro-7-propan-2-ylpyrrolo[2,3-d]pyrimidine;3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydrofuro[3,4-d]pyrazole;3-(1,1-difluoroethyl)-1-propan-2-yl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole 5,5-dioxide;9-(difluoromethyl)-5-methyl-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;4,7-dimethyl-2-methylidene-3-propan-2-yl-1,3-dihydroindole;5-fluoro-1-propan-2-yl-3-(trifluoromethyl)indazole;6-methoxy-2-methylidene-3-propan-2-yl-1,3-dihydroindole;2-methylidene-4-propan-2-yl-1,3-dihydroquinoxaline;7-methylidene-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-indazole;5-methyl-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole;4-methyl-1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole;1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,3-c]pyridin-4-one;2-propan-2-yl-3-(trifluoromethyl)-4,6-dihydrothieno[3,4-c]pyrazole (PubChem CID 158331542) has the molecular formula C161H210ClF28N29O7S2 and a molecular weight of 3295.18 g/mol. Its IUPAC name is tert-butyl 1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;2-chloro-7-propan-2-ylpyrrolo[2,3-d]pyrimidine;3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydrofuro[3,4-d]pyrazole;3-(1,1-difluoroethyl)-1-propan-2-yl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole 5,5-dioxide;9-(difluoromethyl)-5-methyl-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;4,7-dimethyl-2-methylidene-3-propan-2-yl-1,3-dihydroindole;5-fluoro-1-propan-2-yl-3-(trifluoromethyl)indazole;6-methoxy-2-methylidene-3-propan-2-yl-1,3-dihydroindole;2-methylidene-4-propan-2-yl-1,3-dihydroquinoxaline;7-methylidene-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-indazole;5-methyl-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole;4-methyl-1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole;1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,3-c]pyridin-4-one;2-propan-2-yl-3-(trifluoromethyl)-4,6-dihydrothieno[3,4-c]pyrazole.

Molecular Properties

Compound Nametert-butyl 1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;2-chloro-7-propan-2-ylpyrrolo[2,3-d]pyrimidine;3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydrofuro[3,4-d]pyrazole;3-(1,1-difluoroethyl)-1-propan-2-yl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole 5,5-dioxide;9-(difluoromethyl)-5-methyl-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;4,7-dimethyl-2-methylidene-3-propan-2-yl-1,3-dihydroindole;5-fluoro-1-propan-2-yl-3-(trifluoromethyl)indazole;6-methoxy-2-methylidene-3-propan-2-yl-1,3-dihydroindole;2-methylidene-4-propan-2-yl-1,3-dihydroquinoxaline;7-methylidene-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-indazole;5-methyl-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole;4-methyl-1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole;1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,3-c]pyridin-4-one;2-propan-2-yl-3-(trifluoromethyl)-4,6-dihydrothieno[3,4-c]pyrazole
PubChem CID158331542
Molecular FormulaC161H210ClF28N29O7S2
Molecular Weight3295.18 g/mol
Exact Mass3292.57
IUPAC Nametert-butyl 1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;2-chloro-7-propan-2-ylpyrrolo[2,3-d]pyrimidine;3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydrofuro[3,4-d]pyrazole;3-(1,1-difluoroethyl)-1-propan-2-yl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole 5,5-dioxide;9-(difluoromethyl)-5-methyl-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;4,7-dimethyl-2-methylidene-3-propan-2-yl-1,3-dihydroindole;5-fluoro-1-propan-2-yl-3-(trifluoromethyl)indazole;6-methoxy-2-methylidene-3-propan-2-yl-1,3-dihydroindole;2-methylidene-4-propan-2-yl-1,3-dihydroquinoxaline;7-methylidene-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-indazole;5-methyl-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole;4-methyl-1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole;1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,3-c]pyridin-4-one;2-propan-2-yl-3-(trifluoromethyl)-4,6-dihydrothieno[3,4-c]pyrazole
SMILESC=C1CCCc2c(C(F)(F)F)nn(C(C)C)c21.C=C1CN(C(C)C)c2ccccc2N1.C=C1Nc2c(C)ccc(C)c2C1C(C)C.C=C1Nc2cc(OC)ccc2C1C(C)C.CC(C)n1ccc2cnc(Cl)nc21.CC(C)n1nc(C(C)(F)F)c2c1CCS(=O)(=O)C2.CC(C)n1nc(C(C)(F)F)c2c1COC2.CC(C)n1nc(C(F)(F)F)c2c1CCN(C(=O)OC(C)(C)C)C2.CC(C)n1nc(C(F)(F)F)c2c1CCNC2=O.CC(C)n1nc(C(F)(F)F)c2cc(F)ccc21.CC(C)n1nc2c(c1C(F)(F)F)CSC2.CC1CCCc2c1c(C(F)(F)F)nn2C(C)C.CC1Cc2c(C(F)(F)F)nn(C(C)C)c2C1.CC1c2c(c(C(F)F)nn2C(C)C)C2CC12
InChIInChI=1S/C15H22F3N3O2.C14H19N.C13H17NO.C12H17F3N2.C12H15F3N2.C12H16F2N2.C12H16N2.C11H10F4N2.C11H15F3N2.C11H16F2N2O2S.C10H12F3N3O.C10H14F2N2O.C9H10ClN3.C9H11F3N2S/c1-9(2)21-11-6-7-20(13(22)23-14(3,4)5)8-10(11)12(19-21)15(16,17)18;1-8(2)12-11(5)15-14-10(4)7-6-9(3)13(12)14;1-8(2)13-9(3)14-12-7-10(15-4)5-6-11(12)13;1-7(2)17-9-6-4-5-8(3)10(9)11(16-17)12(13,14)15;1-7(2)17-10-8(3)5-4-6-9(10)11(16-17)12(13,14)15;1-5(2)16-11-6(3)7-4-8(7)9(11)10(15-16)12(13)14;1-9(2)14-8-10(3)13-11-6-4-5-7-12(11)14;1-6(2)17-9-4-3-7(12)5-8(9)10(16-17)11(13,14)15;1-6(2)16-9-5-7(3)4-8(9)10(15-16)11(12,13)14;1-7(2)15-9-4-5-18(16,17)6-8(9)10(14-15)11(3,12)13;1-5(2)16-6-3-4-14-9(17)7(6)8(15-16)10(11,12)13;1-6(2)14-8-5-15-4-7(8)9(13-14)10(3,11)12;1-6(2)13-4-3-7-5-11-9(10)12-8(7)13;1-5(2)14-8(9(10,11)12)6-3-15-4-7(6)13-14/h9H,6-8H2,1-5H3;6-8,12,15H,5H2,1-4H3;5-8,13-14H,3H2,1-2,4H3;7-8H,4-6H2,1-3H3;7H,3-6H2,1-2H3;5-8,12H,4H2,1-3H3;4-7,9,13H,3,8H2,1-2H3;3-6H,1-2H3;6-7H,4-5H2,1-3H3;7H,4-6H2,1-3H3;5H,3-4H2,1-2H3,(H,14,17);6H,4-5H2,1-3H3;3-6H,1-2H3;5H,3-4H2,1-2H3
InChIKeyGQBOGIHRNNPGMV-UHFFFAOYSA-N
XLogP44.66
TPSA359.48 Ų
H-Bond Donors4
H-Bond Acceptors35
Rotatable Bonds18
Heavy Atoms228
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003295.18
LogP ≤ 544.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1035

Analyze tert-butyl 1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;2-chloro-7-propan-2-ylpyrrolo[2,3-d]pyrimidine;3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydrofuro[3,4-d]pyrazole;3-(1,1-difluoroethyl)-1-propan-2-yl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole 5,5-dioxide;9-(difluoromethyl)-5-methyl-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;4,7-dimethyl-2-methylidene-3-propan-2-yl-1,3-dihydroindole;5-fluoro-1-propan-2-yl-3-(trifluoromethyl)indazole;6-methoxy-2-methylidene-3-propan-2-yl-1,3-dihydroindole;2-methylidene-4-propan-2-yl-1,3-dihydroquinoxaline;7-methylidene-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-indazole;5-methyl-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole;4-methyl-1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole;1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,3-c]pyridin-4-one;2-propan-2-yl-3-(trifluoromethyl)-4,6-dihydrothieno[3,4-c]pyrazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;2-chloro-7-propan-2-ylpyrrolo[2,3-d]pyrimidine;3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydrofuro[3,4-d]pyrazole;3-(1,1-difluoroethyl)-1-propan-2-yl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole 5,5-dioxide;9-(difluoromethyl)-5-methyl-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;4,7-dimethyl-2-methylidene-3-propan-2-yl-1,3-dihydroindole;5-fluoro-1-propan-2-yl-3-(trifluoromethyl)indazole;6-methoxy-2-methylidene-3-propan-2-yl-1,3-dihydroindole;2-methylidene-4-propan-2-yl-1,3-dihydroquinoxaline;7-methylidene-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-indazole;5-methyl-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole;4-methyl-1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole;1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,3-c]pyridin-4-one;2-propan-2-yl-3-(trifluoromethyl)-4,6-dihydrothieno[3,4-c]pyrazole?
The IUPAC name of tert-butyl 1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;2-chloro-7-propan-2-ylpyrrolo[2,3-d]pyrimidine;3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydrofuro[3,4-d]pyrazole;3-(1,1-difluoroethyl)-1-propan-2-yl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole 5,5-dioxide;9-(difluoromethyl)-5-methyl-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;4,7-dimethyl-2-methylidene-3-propan-2-yl-1,3-dihydroindole;5-fluoro-1-propan-2-yl-3-(trifluoromethyl)indazole;6-methoxy-2-methylidene-3-propan-2-yl-1,3-dihydroindole;2-methylidene-4-propan-2-yl-1,3-dihydroquinoxaline;7-methylidene-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-indazole;5-methyl-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole;4-methyl-1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole;1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,3-c]pyridin-4-one;2-propan-2-yl-3-(trifluoromethyl)-4,6-dihydrothieno[3,4-c]pyrazole (CID 158331542) is tert-butyl 1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;2-chloro-7-propan-2-ylpyrrolo[2,3-d]pyrimidine;3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydrofuro[3,4-d]pyrazole;3-(1,1-difluoroethyl)-1-propan-2-yl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole 5,5-dioxide;9-(difluoromethyl)-5-methyl-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;4,7-dimethyl-2-methylidene-3-propan-2-yl-1,3-dihydroindole;5-fluoro-1-propan-2-yl-3-(trifluoromethyl)indazole;6-methoxy-2-methylidene-3-propan-2-yl-1,3-dihydroindole;2-methylidene-4-propan-2-yl-1,3-dihydroquinoxaline;7-methylidene-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-indazole;5-methyl-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole;4-methyl-1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole;1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,3-c]pyridin-4-one;2-propan-2-yl-3-(trifluoromethyl)-4,6-dihydrothieno[3,4-c]pyrazole.
What is the SMILES notation for tert-butyl 1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;2-chloro-7-propan-2-ylpyrrolo[2,3-d]pyrimidine;3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydrofuro[3,4-d]pyrazole;3-(1,1-difluoroethyl)-1-propan-2-yl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole 5,5-dioxide;9-(difluoromethyl)-5-methyl-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;4,7-dimethyl-2-methylidene-3-propan-2-yl-1,3-dihydroindole;5-fluoro-1-propan-2-yl-3-(trifluoromethyl)indazole;6-methoxy-2-methylidene-3-propan-2-yl-1,3-dihydroindole;2-methylidene-4-propan-2-yl-1,3-dihydroquinoxaline;7-methylidene-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-indazole;5-methyl-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole;4-methyl-1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole;1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,3-c]pyridin-4-one;2-propan-2-yl-3-(trifluoromethyl)-4,6-dihydrothieno[3,4-c]pyrazole?
The canonical SMILES for tert-butyl 1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;2-chloro-7-propan-2-ylpyrrolo[2,3-d]pyrimidine;3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydrofuro[3,4-d]pyrazole;3-(1,1-difluoroethyl)-1-propan-2-yl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole 5,5-dioxide;9-(difluoromethyl)-5-methyl-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;4,7-dimethyl-2-methylidene-3-propan-2-yl-1,3-dihydroindole;5-fluoro-1-propan-2-yl-3-(trifluoromethyl)indazole;6-methoxy-2-methylidene-3-propan-2-yl-1,3-dihydroindole;2-methylidene-4-propan-2-yl-1,3-dihydroquinoxaline;7-methylidene-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-indazole;5-methyl-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole;4-methyl-1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole;1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,3-c]pyridin-4-one;2-propan-2-yl-3-(trifluoromethyl)-4,6-dihydrothieno[3,4-c]pyrazole is C=C1CCCc2c(C(F)(F)F)nn(C(C)C)c21.C=C1CN(C(C)C)c2ccccc2N1.C=C1Nc2c(C)ccc(C)c2C1C(C)C.C=C1Nc2cc(OC)ccc2C1C(C)C.CC(C)n1ccc2cnc(Cl)nc21.CC(C)n1nc(C(C)(F)F)c2c1CCS(=O)(=O)C2.CC(C)n1nc(C(C)(F)F)c2c1COC2.CC(C)n1nc(C(F)(F)F)c2c1CCN(C(=O)OC(C)(C)C)C2.CC(C)n1nc(C(F)(F)F)c2c1CCNC2=O.CC(C)n1nc(C(F)(F)F)c2cc(F)ccc21.CC(C)n1nc2c(c1C(F)(F)F)CSC2.CC1CCCc2c1c(C(F)(F)F)nn2C(C)C.CC1Cc2c(C(F)(F)F)nn(C(C)C)c2C1.CC1c2c(c(C(F)F)nn2C(C)C)C2CC12.
What is the InChIKey of tert-butyl 1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;2-chloro-7-propan-2-ylpyrrolo[2,3-d]pyrimidine;3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydrofuro[3,4-d]pyrazole;3-(1,1-difluoroethyl)-1-propan-2-yl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole 5,5-dioxide;9-(difluoromethyl)-5-methyl-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;4,7-dimethyl-2-methylidene-3-propan-2-yl-1,3-dihydroindole;5-fluoro-1-propan-2-yl-3-(trifluoromethyl)indazole;6-methoxy-2-methylidene-3-propan-2-yl-1,3-dihydroindole;2-methylidene-4-propan-2-yl-1,3-dihydroquinoxaline;7-methylidene-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-indazole;5-methyl-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole;4-methyl-1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole;1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,3-c]pyridin-4-one;2-propan-2-yl-3-(trifluoromethyl)-4,6-dihydrothieno[3,4-c]pyrazole?
The InChIKey is GQBOGIHRNNPGMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3N3O2.C14H19N.C13H17NO.C12H17F3N2.C12H15F3N2.C12H16F2N2.C12H16N2.C11H10F4N2.C11H15F3N2.C11H16F2N2O2S.C10H12F3N3O.C10H14F2N2O.C9H10ClN3.C9H11F3N2S/c1-9(2)21-11-6-7-20(13(22)23-14(3,4)5)8-10(11)12(19-21)15(16,17)18;1-8(2)12-11(5)15-14-10(4)7-6-9(3)13(12)14;1-8(2)13-9(3)14-12-7-10(15-4)5-6-11(12)13;1-7(2)17-9-6-4-5-8(3)10(9)11(16-17)12(13,14)15;1-7(2)17-10-8(3)5-4-6-9(10)11(16-17)12(13,14)15;1-5(2)16-11-6(3)7-4-8(7)9(11)10(15-16)12(13)14;1-9(2)14-8-10(3)13-11-6-4-5-7-12(11)14;1-6(2)17-9-4-3-7(12)5-8(9)10(16-17)11(13,14)15;1-6(2)16-9-5-7(3)4-8(9)10(15-16)11(12,13)14;1-7(2)15-9-4-5-18(16,17)6-8(9)10(14-15)11(3,12)13;1-5(2)16-6-3-4-14-9(17)7(6)8(15-16)10(11,12)13;1-6(2)14-8-5-15-4-7(8)9(13-14)10(3,11)12;1-6(2)13-4-3-7-5-11-9(10)12-8(7)13;1-5(2)14-8(9(10,11)12)6-3-15-4-7(6)13-14/h9H,6-8H2,1-5H3;6-8,12,15H,5H2,1-4H3;5-8,13-14H,3H2,1-2,4H3;7-8H,4-6H2,1-3H3;7H,3-6H2,1-2H3;5-8,12H,4H2,1-3H3;4-7,9,13H,3,8H2,1-2H3;3-6H,1-2H3;6-7H,4-5H2,1-3H3;7H,4-6H2,1-3H3;5H,3-4H2,1-2H3,(H,14,17);6H,4-5H2,1-3H3;3-6H,1-2H3;5H,3-4H2,1-2H3.
What are the key properties of tert-butyl 1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;2-chloro-7-propan-2-ylpyrrolo[2,3-d]pyrimidine;3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydrofuro[3,4-d]pyrazole;3-(1,1-difluoroethyl)-1-propan-2-yl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole 5,5-dioxide;9-(difluoromethyl)-5-methyl-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;4,7-dimethyl-2-methylidene-3-propan-2-yl-1,3-dihydroindole;5-fluoro-1-propan-2-yl-3-(trifluoromethyl)indazole;6-methoxy-2-methylidene-3-propan-2-yl-1,3-dihydroindole;2-methylidene-4-propan-2-yl-1,3-dihydroquinoxaline;7-methylidene-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-indazole;5-methyl-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole;4-methyl-1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole;1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,3-c]pyridin-4-one;2-propan-2-yl-3-(trifluoromethyl)-4,6-dihydrothieno[3,4-c]pyrazole?
tert-butyl 1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;2-chloro-7-propan-2-ylpyrrolo[2,3-d]pyrimidine;3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydrofuro[3,4-d]pyrazole;3-(1,1-difluoroethyl)-1-propan-2-yl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole 5,5-dioxide;9-(difluoromethyl)-5-methyl-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;4,7-dimethyl-2-methylidene-3-propan-2-yl-1,3-dihydroindole;5-fluoro-1-propan-2-yl-3-(trifluoromethyl)indazole;6-methoxy-2-methylidene-3-propan-2-yl-1,3-dihydroindole;2-methylidene-4-propan-2-yl-1,3-dihydroquinoxaline;7-methylidene-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-indazole;5-methyl-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole;4-methyl-1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole;1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,3-c]pyridin-4-one;2-propan-2-yl-3-(trifluoromethyl)-4,6-dihydrothieno[3,4-c]pyrazole has a molecular weight of 3295.18 g/mol, XLogP of 44.66, 18 rotatable bonds, 4 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;2-chloro-7-propan-2-ylpyrrolo[2,3-d]pyrimidine;3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydrofuro[3,4-d]pyrazole;3-(1,1-difluoroethyl)-1-propan-2-yl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole 5,5-dioxide;9-(difluoromethyl)-5-methyl-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;4,7-dimethyl-2-methylidene-3-propan-2-yl-1,3-dihydroindole;5-fluoro-1-propan-2-yl-3-(trifluoromethyl)indazole;6-methoxy-2-methylidene-3-propan-2-yl-1,3-dihydroindole;2-methylidene-4-propan-2-yl-1,3-dihydroquinoxaline;7-methylidene-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-indazole;5-methyl-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole;4-methyl-1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole;1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,3-c]pyridin-4-one;2-propan-2-yl-3-(trifluoromethyl)-4,6-dihydrothieno[3,4-c]pyrazole is sourced from PubChem (CID 158331542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).