2-cyclopentyl-1-propan-2-yl-4-(trifluoromethyl)imidazole;3-(1,1-difluoroethyl)-1-propan-2-yl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole;3-(1,1-difluoroethyl)-1-propan-2-yl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole;4,4-difluoro-1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-5H-indazole;ethyl 2-propan-2-ylpyrrolidine-1-carboxylate;3-[1-fluoro-1-(pyridin-2-ylmethoxy)ethyl]-1-propan-2-yl-4,5,6,7-tetrahydroindazole;phenyl-(2-propan-2-ylpyrrolidin-1-yl)methanone;3-propan-2-yl-3,4-diazatricyclo[6.1.1.02,6]deca-2(6),4-diene-5-carbaldehyde;1-propan-2-ylindazole;(5R)-5-propan-2-ylpyrrolidin-2-one;1-propan-2-yl-4,5,6,7-tetrahydro-2H-indazol-3-one;7-propan-2-yl-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole

C148H209F19N24O9 — CID 159858150

IUPAC2-cyclopentyl-1-propan-2-yl-4-(trifluoromethyl)imidazole;3-(1,1-difluoroethyl)-1-propan-2-yl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole;3-(1,1-difluoroethyl)-1-propan-2-yl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole;4,4-difluoro-1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-5H-indazole;ethyl 2-propan-2-ylpyrrolidine-1-carboxylate;3-[1-fluoro-1-(pyridin-2-ylmethoxy)ethyl]-1-propan-2-yl-4,5,6,7-tetrahydroindazole;phenyl-(2-propan-2-ylpyrrolidin-1-yl)methanone;3-propan-2-yl-3,4-diazatricyclo[6.1.1.02,6]deca-2(6),4-diene-5-carbaldehyde;1-propan-2-ylindazole;(5R)-5-propan-2-ylpyrrolidin-2-one;1-propan-2-yl-4,5,6,7-tetrahydro-2H-indazol-3-one;7-propan-2-yl-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole
SMILESCC(C)C1CCCN1C(=O)c1ccccc1.CC(C)[C@H]1CCC(=O)N1.CC(C)n1[nH]c(=O)c2c1CCCC2.CC(C)n1cc(C(F)(F)F)nc1C1CCCC1.CC(C)n1nc(C(C)(F)F)c2c1CCOC2.CC(C)n1nc(C(C)(F)F)c2c1COCC2.CC(C)n1nc(C(C)(F)OCc2ccccn2)c2c1CCCC2.CC(C)n1nc(C(F)(F)F)c2c1CC1CC21.CC(C)n1nc(C(F)(F)F)c2c1CCCC2.CC(C)n1nc(C(F)(F)F)c2c1CCCC2(F)F.CC(C)n1nc(C=O)c2c1C1CC(C2)C1.CC(C)n1ncc2ccccc21.CCOC(=O)N1CCCC1C(C)C
InChIInChI=1S/C18H24FN3O.C14H19NO.C12H17F3N2.C12H16N2O.C11H13F5N2.C11H13F3N2.C11H15F3N2.2C11H16F2N2O.C10H16N2O.C10H12N2.C10H19NO2.C7H13NO/c1-13(2)22-16-10-5-4-9-15(16)17(21-22)18(3,19)23-12-14-8-6-7-11-20-14;1-11(2)13-9-6-10-15(13)14(16)12-7-4-3-5-8-12;1-8(2)17-7-10(12(13,14)15)16-11(17)9-5-3-4-6-9;1-7(2)14-12-9-3-8(4-9)5-10(12)11(6-15)13-14;1-6(2)18-7-4-3-5-10(12,13)8(7)9(17-18)11(14,15)16;1-5(2)16-8-4-6-3-7(6)9(8)10(15-16)11(12,13)14;1-7(2)16-9-6-4-3-5-8(9)10(15-16)11(12,13)14;1-7(2)15-9-4-5-16-6-8(9)10(14-15)11(3,12)13;1-7(2)15-9-6-16-5-4-8(9)10(14-15)11(3,12)13;1-7(2)12-9-6-4-3-5-8(9)10(13)11-12;1-8(2)12-10-6-4-3-5-9(10)7-11-12;1-4-13-10(12)11-7-5-6-9(11)8(2)3;1-5(2)6-3-4-7(9)8-6/h6-8,11,13H,4-5,9-10,12H2,1-3H3;3-5,7-8,11,13H,6,9-10H2,1-2H3;7-9H,3-6H2,1-2H3;6-9H,3-5H2,1-2H3;6H,3-5H2,1-2H3;5-7H,3-4H2,1-2H3;7H,3-6H2,1-2H3;2*7H,4-6H2,1-3H3;7H,3-6H2,1-2H3,(H,11,13);3-8H,1-2H3;8-9H,4-7H2,1-3H3;5-6H,3-4H2,1-2H3,(H,8,9)/t;;;;;;;;;;;;6-/m............1/s1
InChIKeyNQUIALJVKVEZCP-GFFRMFNESA-N
MW2829.42 g/mol
LogP36.66
Rot. Bonds23

About 2-cyclopentyl-1-propan-2-yl-4-(trifluoromethyl)imidazole;3-(1,1-difluoroethyl)-1-propan-2-yl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole;3-(1,1-difluoroethyl)-1-propan-2-yl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole;4,4-difluoro-1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-5H-indazole;ethyl 2-propan-2-ylpyrrolidine-1-carboxylate;3-[1-fluoro-1-(pyridin-2-ylmethoxy)ethyl]-1-propan-2-yl-4,5,6,7-tetrahydroindazole;phenyl-(2-propan-2-ylpyrrolidin-1-yl)methanone;3-propan-2-yl-3,4-diazatricyclo[6.1.1.02,6]deca-2(6),4-diene-5-carbaldehyde;1-propan-2-ylindazole;(5R)-5-propan-2-ylpyrrolidin-2-one;1-propan-2-yl-4,5,6,7-tetrahydro-2H-indazol-3-one;7-propan-2-yl-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole

2-cyclopentyl-1-propan-2-yl-4-(trifluoromethyl)imidazole;3-(1,1-difluoroethyl)-1-propan-2-yl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole;3-(1,1-difluoroethyl)-1-propan-2-yl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole;4,4-difluoro-1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-5H-indazole;ethyl 2-propan-2-ylpyrrolidine-1-carboxylate;3-[1-fluoro-1-(pyridin-2-ylmethoxy)ethyl]-1-propan-2-yl-4,5,6,7-tetrahydroindazole;phenyl-(2-propan-2-ylpyrrolidin-1-yl)methanone;3-propan-2-yl-3,4-diazatricyclo[6.1.1.02,6]deca-2(6),4-diene-5-carbaldehyde;1-propan-2-ylindazole;(5R)-5-propan-2-ylpyrrolidin-2-one;1-propan-2-yl-4,5,6,7-tetrahydro-2H-indazol-3-one;7-propan-2-yl-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole (PubChem CID 159858150) has the molecular formula C148H209F19N24O9 and a molecular weight of 2829.42 g/mol. Its IUPAC name is 2-cyclopentyl-1-propan-2-yl-4-(trifluoromethyl)imidazole;3-(1,1-difluoroethyl)-1-propan-2-yl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole;3-(1,1-difluoroethyl)-1-propan-2-yl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole;4,4-difluoro-1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-5H-indazole;ethyl 2-propan-2-ylpyrrolidine-1-carboxylate;3-[1-fluoro-1-(pyridin-2-ylmethoxy)ethyl]-1-propan-2-yl-4,5,6,7-tetrahydroindazole;phenyl-(2-propan-2-ylpyrrolidin-1-yl)methanone;3-propan-2-yl-3,4-diazatricyclo[6.1.1.02,6]deca-2(6),4-diene-5-carbaldehyde;1-propan-2-ylindazole;(5R)-5-propan-2-ylpyrrolidin-2-one;1-propan-2-yl-4,5,6,7-tetrahydro-2H-indazol-3-one;7-propan-2-yl-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole.

Molecular Properties

Compound Name2-cyclopentyl-1-propan-2-yl-4-(trifluoromethyl)imidazole;3-(1,1-difluoroethyl)-1-propan-2-yl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole;3-(1,1-difluoroethyl)-1-propan-2-yl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole;4,4-difluoro-1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-5H-indazole;ethyl 2-propan-2-ylpyrrolidine-1-carboxylate;3-[1-fluoro-1-(pyridin-2-ylmethoxy)ethyl]-1-propan-2-yl-4,5,6,7-tetrahydroindazole;phenyl-(2-propan-2-ylpyrrolidin-1-yl)methanone;3-propan-2-yl-3,4-diazatricyclo[6.1.1.02,6]deca-2(6),4-diene-5-carbaldehyde;1-propan-2-ylindazole;(5R)-5-propan-2-ylpyrrolidin-2-one;1-propan-2-yl-4,5,6,7-tetrahydro-2H-indazol-3-one;7-propan-2-yl-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole
PubChem CID159858150
Molecular FormulaC148H209F19N24O9
Molecular Weight2829.42 g/mol
Exact Mass2827.63
IUPAC Name2-cyclopentyl-1-propan-2-yl-4-(trifluoromethyl)imidazole;3-(1,1-difluoroethyl)-1-propan-2-yl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole;3-(1,1-difluoroethyl)-1-propan-2-yl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole;4,4-difluoro-1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-5H-indazole;ethyl 2-propan-2-ylpyrrolidine-1-carboxylate;3-[1-fluoro-1-(pyridin-2-ylmethoxy)ethyl]-1-propan-2-yl-4,5,6,7-tetrahydroindazole;phenyl-(2-propan-2-ylpyrrolidin-1-yl)methanone;3-propan-2-yl-3,4-diazatricyclo[6.1.1.02,6]deca-2(6),4-diene-5-carbaldehyde;1-propan-2-ylindazole;(5R)-5-propan-2-ylpyrrolidin-2-one;1-propan-2-yl-4,5,6,7-tetrahydro-2H-indazol-3-one;7-propan-2-yl-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole
SMILESCC(C)C1CCCN1C(=O)c1ccccc1.CC(C)[C@H]1CCC(=O)N1.CC(C)n1[nH]c(=O)c2c1CCCC2.CC(C)n1cc(C(F)(F)F)nc1C1CCCC1.CC(C)n1nc(C(C)(F)F)c2c1CCOC2.CC(C)n1nc(C(C)(F)F)c2c1COCC2.CC(C)n1nc(C(C)(F)OCc2ccccn2)c2c1CCCC2.CC(C)n1nc(C(F)(F)F)c2c1CC1CC21.CC(C)n1nc(C(F)(F)F)c2c1CCCC2.CC(C)n1nc(C(F)(F)F)c2c1CCCC2(F)F.CC(C)n1nc(C=O)c2c1C1CC(C2)C1.CC(C)n1ncc2ccccc21.CCOC(=O)N1CCCC1C(C)C
InChIInChI=1S/C18H24FN3O.C14H19NO.C12H17F3N2.C12H16N2O.C11H13F5N2.C11H13F3N2.C11H15F3N2.2C11H16F2N2O.C10H16N2O.C10H12N2.C10H19NO2.C7H13NO/c1-13(2)22-16-10-5-4-9-15(16)17(21-22)18(3,19)23-12-14-8-6-7-11-20-14;1-11(2)13-9-6-10-15(13)14(16)12-7-4-3-5-8-12;1-8(2)17-7-10(12(13,14)15)16-11(17)9-5-3-4-6-9;1-7(2)14-12-9-3-8(4-9)5-10(12)11(6-15)13-14;1-6(2)18-7-4-3-5-10(12,13)8(7)9(17-18)11(14,15)16;1-5(2)16-8-4-6-3-7(6)9(8)10(15-16)11(12,13)14;1-7(2)16-9-6-4-3-5-8(9)10(15-16)11(12,13)14;1-7(2)15-9-4-5-16-6-8(9)10(14-15)11(3,12)13;1-7(2)15-9-6-16-5-4-8(9)10(14-15)11(3,12)13;1-7(2)12-9-6-4-3-5-8(9)10(13)11-12;1-8(2)12-10-6-4-3-5-9(10)7-11-12;1-4-13-10(12)11-7-5-6-9(11)8(2)3;1-5(2)6-3-4-7(9)8-6/h6-8,11,13H,4-5,9-10,12H2,1-3H3;3-5,7-8,11,13H,6,9-10H2,1-2H3;7-9H,3-6H2,1-2H3;6-9H,3-5H2,1-2H3;6H,3-5H2,1-2H3;5-7H,3-4H2,1-2H3;7H,3-6H2,1-2H3;2*7H,4-6H2,1-3H3;7H,3-6H2,1-2H3,(H,11,13);3-8H,1-2H3;8-9H,4-7H2,1-3H3;5-6H,3-4H2,1-2H3,(H,8,9)/t;;;;;;;;;;;;6-/m............1/s1
InChIKeyNQUIALJVKVEZCP-GFFRMFNESA-N
XLogP36.66
TPSA334.77 Ų
H-Bond Donors2
H-Bond Acceptors29
Rotatable Bonds23
Heavy Atoms200
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002829.42
LogP ≤ 536.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1029

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 2-cyclopentyl-1-propan-2-yl-4-(trifluoromethyl)imidazole;3-(1,1-difluoroethyl)-1-propan-2-yl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole;3-(1,1-difluoroethyl)-1-propan-2-yl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole;4,4-difluoro-1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-5H-indazole;ethyl 2-propan-2-ylpyrrolidine-1-carboxylate;3-[1-fluoro-1-(pyridin-2-ylmethoxy)ethyl]-1-propan-2-yl-4,5,6,7-tetrahydroindazole;phenyl-(2-propan-2-ylpyrrolidin-1-yl)methanone;3-propan-2-yl-3,4-diazatricyclo[6.1.1.02,6]deca-2(6),4-diene-5-carbaldehyde;1-propan-2-ylindazole;(5R)-5-propan-2-ylpyrrolidin-2-one;1-propan-2-yl-4,5,6,7-tetrahydro-2H-indazol-3-one;7-propan-2-yl-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;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 2-cyclopentyl-1-propan-2-yl-4-(trifluoromethyl)imidazole;3-(1,1-difluoroethyl)-1-propan-2-yl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole;3-(1,1-difluoroethyl)-1-propan-2-yl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole;4,4-difluoro-1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-5H-indazole;ethyl 2-propan-2-ylpyrrolidine-1-carboxylate;3-[1-fluoro-1-(pyridin-2-ylmethoxy)ethyl]-1-propan-2-yl-4,5,6,7-tetrahydroindazole;phenyl-(2-propan-2-ylpyrrolidin-1-yl)methanone;3-propan-2-yl-3,4-diazatricyclo[6.1.1.02,6]deca-2(6),4-diene-5-carbaldehyde;1-propan-2-ylindazole;(5R)-5-propan-2-ylpyrrolidin-2-one;1-propan-2-yl-4,5,6,7-tetrahydro-2H-indazol-3-one;7-propan-2-yl-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole?
The IUPAC name of 2-cyclopentyl-1-propan-2-yl-4-(trifluoromethyl)imidazole;3-(1,1-difluoroethyl)-1-propan-2-yl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole;3-(1,1-difluoroethyl)-1-propan-2-yl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole;4,4-difluoro-1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-5H-indazole;ethyl 2-propan-2-ylpyrrolidine-1-carboxylate;3-[1-fluoro-1-(pyridin-2-ylmethoxy)ethyl]-1-propan-2-yl-4,5,6,7-tetrahydroindazole;phenyl-(2-propan-2-ylpyrrolidin-1-yl)methanone;3-propan-2-yl-3,4-diazatricyclo[6.1.1.02,6]deca-2(6),4-diene-5-carbaldehyde;1-propan-2-ylindazole;(5R)-5-propan-2-ylpyrrolidin-2-one;1-propan-2-yl-4,5,6,7-tetrahydro-2H-indazol-3-one;7-propan-2-yl-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole (CID 159858150) is 2-cyclopentyl-1-propan-2-yl-4-(trifluoromethyl)imidazole;3-(1,1-difluoroethyl)-1-propan-2-yl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole;3-(1,1-difluoroethyl)-1-propan-2-yl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole;4,4-difluoro-1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-5H-indazole;ethyl 2-propan-2-ylpyrrolidine-1-carboxylate;3-[1-fluoro-1-(pyridin-2-ylmethoxy)ethyl]-1-propan-2-yl-4,5,6,7-tetrahydroindazole;phenyl-(2-propan-2-ylpyrrolidin-1-yl)methanone;3-propan-2-yl-3,4-diazatricyclo[6.1.1.02,6]deca-2(6),4-diene-5-carbaldehyde;1-propan-2-ylindazole;(5R)-5-propan-2-ylpyrrolidin-2-one;1-propan-2-yl-4,5,6,7-tetrahydro-2H-indazol-3-one;7-propan-2-yl-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole.
What is the SMILES notation for 2-cyclopentyl-1-propan-2-yl-4-(trifluoromethyl)imidazole;3-(1,1-difluoroethyl)-1-propan-2-yl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole;3-(1,1-difluoroethyl)-1-propan-2-yl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole;4,4-difluoro-1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-5H-indazole;ethyl 2-propan-2-ylpyrrolidine-1-carboxylate;3-[1-fluoro-1-(pyridin-2-ylmethoxy)ethyl]-1-propan-2-yl-4,5,6,7-tetrahydroindazole;phenyl-(2-propan-2-ylpyrrolidin-1-yl)methanone;3-propan-2-yl-3,4-diazatricyclo[6.1.1.02,6]deca-2(6),4-diene-5-carbaldehyde;1-propan-2-ylindazole;(5R)-5-propan-2-ylpyrrolidin-2-one;1-propan-2-yl-4,5,6,7-tetrahydro-2H-indazol-3-one;7-propan-2-yl-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole?
The canonical SMILES for 2-cyclopentyl-1-propan-2-yl-4-(trifluoromethyl)imidazole;3-(1,1-difluoroethyl)-1-propan-2-yl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole;3-(1,1-difluoroethyl)-1-propan-2-yl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole;4,4-difluoro-1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-5H-indazole;ethyl 2-propan-2-ylpyrrolidine-1-carboxylate;3-[1-fluoro-1-(pyridin-2-ylmethoxy)ethyl]-1-propan-2-yl-4,5,6,7-tetrahydroindazole;phenyl-(2-propan-2-ylpyrrolidin-1-yl)methanone;3-propan-2-yl-3,4-diazatricyclo[6.1.1.02,6]deca-2(6),4-diene-5-carbaldehyde;1-propan-2-ylindazole;(5R)-5-propan-2-ylpyrrolidin-2-one;1-propan-2-yl-4,5,6,7-tetrahydro-2H-indazol-3-one;7-propan-2-yl-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole is CC(C)C1CCCN1C(=O)c1ccccc1.CC(C)[C@H]1CCC(=O)N1.CC(C)n1[nH]c(=O)c2c1CCCC2.CC(C)n1cc(C(F)(F)F)nc1C1CCCC1.CC(C)n1nc(C(C)(F)F)c2c1CCOC2.CC(C)n1nc(C(C)(F)F)c2c1COCC2.CC(C)n1nc(C(C)(F)OCc2ccccn2)c2c1CCCC2.CC(C)n1nc(C(F)(F)F)c2c1CC1CC21.CC(C)n1nc(C(F)(F)F)c2c1CCCC2.CC(C)n1nc(C(F)(F)F)c2c1CCCC2(F)F.CC(C)n1nc(C=O)c2c1C1CC(C2)C1.CC(C)n1ncc2ccccc21.CCOC(=O)N1CCCC1C(C)C.
What is the InChIKey of 2-cyclopentyl-1-propan-2-yl-4-(trifluoromethyl)imidazole;3-(1,1-difluoroethyl)-1-propan-2-yl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole;3-(1,1-difluoroethyl)-1-propan-2-yl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole;4,4-difluoro-1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-5H-indazole;ethyl 2-propan-2-ylpyrrolidine-1-carboxylate;3-[1-fluoro-1-(pyridin-2-ylmethoxy)ethyl]-1-propan-2-yl-4,5,6,7-tetrahydroindazole;phenyl-(2-propan-2-ylpyrrolidin-1-yl)methanone;3-propan-2-yl-3,4-diazatricyclo[6.1.1.02,6]deca-2(6),4-diene-5-carbaldehyde;1-propan-2-ylindazole;(5R)-5-propan-2-ylpyrrolidin-2-one;1-propan-2-yl-4,5,6,7-tetrahydro-2H-indazol-3-one;7-propan-2-yl-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole?
The InChIKey is NQUIALJVKVEZCP-GFFRMFNESA-N. The full InChI is InChI=1S/C18H24FN3O.C14H19NO.C12H17F3N2.C12H16N2O.C11H13F5N2.C11H13F3N2.C11H15F3N2.2C11H16F2N2O.C10H16N2O.C10H12N2.C10H19NO2.C7H13NO/c1-13(2)22-16-10-5-4-9-15(16)17(21-22)18(3,19)23-12-14-8-6-7-11-20-14;1-11(2)13-9-6-10-15(13)14(16)12-7-4-3-5-8-12;1-8(2)17-7-10(12(13,14)15)16-11(17)9-5-3-4-6-9;1-7(2)14-12-9-3-8(4-9)5-10(12)11(6-15)13-14;1-6(2)18-7-4-3-5-10(12,13)8(7)9(17-18)11(14,15)16;1-5(2)16-8-4-6-3-7(6)9(8)10(15-16)11(12,13)14;1-7(2)16-9-6-4-3-5-8(9)10(15-16)11(12,13)14;1-7(2)15-9-4-5-16-6-8(9)10(14-15)11(3,12)13;1-7(2)15-9-6-16-5-4-8(9)10(14-15)11(3,12)13;1-7(2)12-9-6-4-3-5-8(9)10(13)11-12;1-8(2)12-10-6-4-3-5-9(10)7-11-12;1-4-13-10(12)11-7-5-6-9(11)8(2)3;1-5(2)6-3-4-7(9)8-6/h6-8,11,13H,4-5,9-10,12H2,1-3H3;3-5,7-8,11,13H,6,9-10H2,1-2H3;7-9H,3-6H2,1-2H3;6-9H,3-5H2,1-2H3;6H,3-5H2,1-2H3;5-7H,3-4H2,1-2H3;7H,3-6H2,1-2H3;2*7H,4-6H2,1-3H3;7H,3-6H2,1-2H3,(H,11,13);3-8H,1-2H3;8-9H,4-7H2,1-3H3;5-6H,3-4H2,1-2H3,(H,8,9)/t;;;;;;;;;;;;6-/m............1/s1.
What are the key properties of 2-cyclopentyl-1-propan-2-yl-4-(trifluoromethyl)imidazole;3-(1,1-difluoroethyl)-1-propan-2-yl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole;3-(1,1-difluoroethyl)-1-propan-2-yl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole;4,4-difluoro-1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-5H-indazole;ethyl 2-propan-2-ylpyrrolidine-1-carboxylate;3-[1-fluoro-1-(pyridin-2-ylmethoxy)ethyl]-1-propan-2-yl-4,5,6,7-tetrahydroindazole;phenyl-(2-propan-2-ylpyrrolidin-1-yl)methanone;3-propan-2-yl-3,4-diazatricyclo[6.1.1.02,6]deca-2(6),4-diene-5-carbaldehyde;1-propan-2-ylindazole;(5R)-5-propan-2-ylpyrrolidin-2-one;1-propan-2-yl-4,5,6,7-tetrahydro-2H-indazol-3-one;7-propan-2-yl-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole?
2-cyclopentyl-1-propan-2-yl-4-(trifluoromethyl)imidazole;3-(1,1-difluoroethyl)-1-propan-2-yl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole;3-(1,1-difluoroethyl)-1-propan-2-yl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole;4,4-difluoro-1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-5H-indazole;ethyl 2-propan-2-ylpyrrolidine-1-carboxylate;3-[1-fluoro-1-(pyridin-2-ylmethoxy)ethyl]-1-propan-2-yl-4,5,6,7-tetrahydroindazole;phenyl-(2-propan-2-ylpyrrolidin-1-yl)methanone;3-propan-2-yl-3,4-diazatricyclo[6.1.1.02,6]deca-2(6),4-diene-5-carbaldehyde;1-propan-2-ylindazole;(5R)-5-propan-2-ylpyrrolidin-2-one;1-propan-2-yl-4,5,6,7-tetrahydro-2H-indazol-3-one;7-propan-2-yl-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole has a molecular weight of 2829.42 g/mol, XLogP of 36.66, 23 rotatable bonds, 2 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-1-propan-2-yl-4-(trifluoromethyl)imidazole;3-(1,1-difluoroethyl)-1-propan-2-yl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole;3-(1,1-difluoroethyl)-1-propan-2-yl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole;4,4-difluoro-1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-5H-indazole;ethyl 2-propan-2-ylpyrrolidine-1-carboxylate;3-[1-fluoro-1-(pyridin-2-ylmethoxy)ethyl]-1-propan-2-yl-4,5,6,7-tetrahydroindazole;phenyl-(2-propan-2-ylpyrrolidin-1-yl)methanone;3-propan-2-yl-3,4-diazatricyclo[6.1.1.02,6]deca-2(6),4-diene-5-carbaldehyde;1-propan-2-ylindazole;(5R)-5-propan-2-ylpyrrolidin-2-one;1-propan-2-yl-4,5,6,7-tetrahydro-2H-indazol-3-one;7-propan-2-yl-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole is sourced from PubChem (CID 159858150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).