(2S,4R)-8-tert-butyl-9-chloro-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(9),6-diene;2-tert-butyl-3-chloro-4,5,6,7-tetrahydroindazole;1-tert-butyl-5-cyclopropyl-3-(1,1-difluoroethyl)pyrazole;1-tert-butyl-5-(difluoromethyl)-3-(1-fluoroethyl)pyrazole;3-tert-butyl-5-fluoro-1H-indole;3-tert-butyl-5-methoxy-1H-indole;3-tert-butyl-2-methyl-1H-inden-5-ol;1-tert-butyl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole;3-chloro-4,5,6,7-tetrahydro-1H-indazole;1-[(2S,4R)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-9-yl]ethanone;3-(difluoromethyl)-1,4,5,5a,6,6a-hexahydrocyclopropa[g]indazole;3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydro-2H-indazole;hexakis(2-methylpropane);8-(trifluoromethyl)-6-oxa-9,10-diazatricyclo[5.3.0.02,4]deca-1(7),8-diene;3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole

C167H236Cl3F27N24O5 — CID 160778530

IUPAC(2S,4R)-8-tert-butyl-9-chloro-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(9),6-diene;2-tert-butyl-3-chloro-4,5,6,7-tetrahydroindazole;1-tert-butyl-5-cyclopropyl-3-(1,1-difluoroethyl)pyrazole;1-tert-butyl-5-(difluoromethyl)-3-(1-fluoroethyl)pyrazole;3-tert-butyl-5-fluoro-1H-indole;3-tert-butyl-5-methoxy-1H-indole;3-tert-butyl-2-methyl-1H-inden-5-ol;1-tert-butyl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole;3-chloro-4,5,6,7-tetrahydro-1H-indazole;1-[(2S,4R)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-9-yl]ethanone;3-(difluoromethyl)-1,4,5,5a,6,6a-hexahydrocyclopropa[g]indazole;3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydro-2H-indazole;hexakis(2-methylpropane);8-(trifluoromethyl)-6-oxa-9,10-diazatricyclo[5.3.0.02,4]deca-1(7),8-diene;3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole
SMILESCC(=O)c1n[nH]c2c1[C@H]1C[C@H]1C2(F)F.CC(C)(C)c1c[nH]c2ccc(F)cc12.CC(C)(C)n1nc(C(F)(F)F)c2c1COCC2.CC(C)(C)n1nc2c(c1Cl)CCCC2.CC(C)(C)n1nc2c(c1Cl)[C@H]1C[C@H]1C2(F)F.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(F)(F)c1cc(C2CC2)n(C(C)(C)C)n1.CC(F)c1cc(C(F)F)n(C(C)(C)C)n1.CC1=C(C(C)(C)C)c2cc(O)ccc2C1.COc1ccc2[nH]cc(C(C)(C)C)c2c1.Clc1n[nH]c2c1CCCC2.FC(F)(F)c1n[nH]c2c1CCCC2.FC(F)(F)c1n[nH]c2c1OCC1CC21.FC(F)c1[nH]nc2c1C(F)(F)CCC2(F)F.FC(F)c1n[nH]c2c1CCC1CC21
InChIInChI=1S/C14H18O.C13H17NO.C12H18F2N2.C12H14FN.C11H13ClF2N2.C11H17ClN2.C11H15F3N2O.C10H15F3N2.C9H8F2N2O.C9H10F2N2.C8H6F6N2.C8H7F3N2O.C8H9F3N2.C7H9ClN2.6C4H10/c1-9-7-10-5-6-11(15)8-12(10)13(9)14(2,3)4;1-13(2,3)11-8-14-12-6-5-9(15-4)7-10(11)12;1-11(2,3)16-9(8-5-6-8)7-10(15-16)12(4,13)14;1-12(2,3)10-7-14-11-5-4-8(13)6-9(10)11;1-10(2,3)16-9(12)7-5-4-6(5)11(13,14)8(7)15-16;1-11(2,3)14-10(12)8-6-4-5-7-9(8)13-14;1-10(2,3)16-8-6-17-5-4-7(8)9(15-16)11(12,13)14;1-6(11)7-5-8(9(12)13)15(14-7)10(2,3)4;1-3(14)7-6-4-2-5(4)9(10,11)8(6)13-12-7;10-9(11)8-5-2-1-4-3-6(4)7(5)12-13-8;9-6(10)4-3-5(16-15-4)8(13,14)2-1-7(3,11)12;9-8(10,11)7-6-5(12-13-7)4-1-3(4)2-14-6;9-8(10,11)7-5-3-1-2-4-6(5)12-13-7;8-7-5-3-1-2-4-6(5)9-10-7;6*1-4(2)3/h5-6,8,15H,7H2,1-4H3;5-8,14H,1-4H3;7-8H,5-6H2,1-4H3;4-7,14H,1-3H3;5-6H,4H2,1-3H3;4-7H2,1-3H3;4-6H2,1-3H3;5-6,9H,1-4H3;4-5H,2H2,1H3,(H,12,13);4,6,9H,1-3H2,(H,12,13);6H,1-2H2,(H,15,16);3-4H,1-2H2,(H,12,13);1-4H2,(H,12,13);1-4H2,(H,9,10);6*4H,1-3H3/t;;;;5-,6+;;;;4-,5+;;;;;;;;;;;/m....0...0.........../s1
InChIKeySAGRBZXGNJDMOZ-LLIVTHGPSA-N
MW3279.19 g/mol
LogP51.17
Rot. Bonds8

About (2S,4R)-8-tert-butyl-9-chloro-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(9),6-diene;2-tert-butyl-3-chloro-4,5,6,7-tetrahydroindazole;1-tert-butyl-5-cyclopropyl-3-(1,1-difluoroethyl)pyrazole;1-tert-butyl-5-(difluoromethyl)-3-(1-fluoroethyl)pyrazole;3-tert-butyl-5-fluoro-1H-indole;3-tert-butyl-5-methoxy-1H-indole;3-tert-butyl-2-methyl-1H-inden-5-ol;1-tert-butyl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole;3-chloro-4,5,6,7-tetrahydro-1H-indazole;1-[(2S,4R)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-9-yl]ethanone;3-(difluoromethyl)-1,4,5,5a,6,6a-hexahydrocyclopropa[g]indazole;3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydro-2H-indazole;hexakis(2-methylpropane);8-(trifluoromethyl)-6-oxa-9,10-diazatricyclo[5.3.0.02,4]deca-1(7),8-diene;3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole

(2S,4R)-8-tert-butyl-9-chloro-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(9),6-diene;2-tert-butyl-3-chloro-4,5,6,7-tetrahydroindazole;1-tert-butyl-5-cyclopropyl-3-(1,1-difluoroethyl)pyrazole;1-tert-butyl-5-(difluoromethyl)-3-(1-fluoroethyl)pyrazole;3-tert-butyl-5-fluoro-1H-indole;3-tert-butyl-5-methoxy-1H-indole;3-tert-butyl-2-methyl-1H-inden-5-ol;1-tert-butyl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole;3-chloro-4,5,6,7-tetrahydro-1H-indazole;1-[(2S,4R)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-9-yl]ethanone;3-(difluoromethyl)-1,4,5,5a,6,6a-hexahydrocyclopropa[g]indazole;3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydro-2H-indazole;hexakis(2-methylpropane);8-(trifluoromethyl)-6-oxa-9,10-diazatricyclo[5.3.0.02,4]deca-1(7),8-diene;3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole (PubChem CID 160778530) has the molecular formula C167H236Cl3F27N24O5 and a molecular weight of 3279.19 g/mol. Its IUPAC name is (2S,4R)-8-tert-butyl-9-chloro-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(9),6-diene;2-tert-butyl-3-chloro-4,5,6,7-tetrahydroindazole;1-tert-butyl-5-cyclopropyl-3-(1,1-difluoroethyl)pyrazole;1-tert-butyl-5-(difluoromethyl)-3-(1-fluoroethyl)pyrazole;3-tert-butyl-5-fluoro-1H-indole;3-tert-butyl-5-methoxy-1H-indole;3-tert-butyl-2-methyl-1H-inden-5-ol;1-tert-butyl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole;3-chloro-4,5,6,7-tetrahydro-1H-indazole;1-[(2S,4R)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-9-yl]ethanone;3-(difluoromethyl)-1,4,5,5a,6,6a-hexahydrocyclopropa[g]indazole;3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydro-2H-indazole;hexakis(2-methylpropane);8-(trifluoromethyl)-6-oxa-9,10-diazatricyclo[5.3.0.02,4]deca-1(7),8-diene;3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole.

Molecular Properties

Compound Name(2S,4R)-8-tert-butyl-9-chloro-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(9),6-diene;2-tert-butyl-3-chloro-4,5,6,7-tetrahydroindazole;1-tert-butyl-5-cyclopropyl-3-(1,1-difluoroethyl)pyrazole;1-tert-butyl-5-(difluoromethyl)-3-(1-fluoroethyl)pyrazole;3-tert-butyl-5-fluoro-1H-indole;3-tert-butyl-5-methoxy-1H-indole;3-tert-butyl-2-methyl-1H-inden-5-ol;1-tert-butyl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole;3-chloro-4,5,6,7-tetrahydro-1H-indazole;1-[(2S,4R)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-9-yl]ethanone;3-(difluoromethyl)-1,4,5,5a,6,6a-hexahydrocyclopropa[g]indazole;3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydro-2H-indazole;hexakis(2-methylpropane);8-(trifluoromethyl)-6-oxa-9,10-diazatricyclo[5.3.0.02,4]deca-1(7),8-diene;3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole
PubChem CID160778530
Molecular FormulaC167H236Cl3F27N24O5
Molecular Weight3279.19 g/mol
Exact Mass3275.76
IUPAC Name(2S,4R)-8-tert-butyl-9-chloro-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(9),6-diene;2-tert-butyl-3-chloro-4,5,6,7-tetrahydroindazole;1-tert-butyl-5-cyclopropyl-3-(1,1-difluoroethyl)pyrazole;1-tert-butyl-5-(difluoromethyl)-3-(1-fluoroethyl)pyrazole;3-tert-butyl-5-fluoro-1H-indole;3-tert-butyl-5-methoxy-1H-indole;3-tert-butyl-2-methyl-1H-inden-5-ol;1-tert-butyl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole;3-chloro-4,5,6,7-tetrahydro-1H-indazole;1-[(2S,4R)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-9-yl]ethanone;3-(difluoromethyl)-1,4,5,5a,6,6a-hexahydrocyclopropa[g]indazole;3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydro-2H-indazole;hexakis(2-methylpropane);8-(trifluoromethyl)-6-oxa-9,10-diazatricyclo[5.3.0.02,4]deca-1(7),8-diene;3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole
SMILESCC(=O)c1n[nH]c2c1[C@H]1C[C@H]1C2(F)F.CC(C)(C)c1c[nH]c2ccc(F)cc12.CC(C)(C)n1nc(C(F)(F)F)c2c1COCC2.CC(C)(C)n1nc2c(c1Cl)CCCC2.CC(C)(C)n1nc2c(c1Cl)[C@H]1C[C@H]1C2(F)F.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(F)(F)c1cc(C2CC2)n(C(C)(C)C)n1.CC(F)c1cc(C(F)F)n(C(C)(C)C)n1.CC1=C(C(C)(C)C)c2cc(O)ccc2C1.COc1ccc2[nH]cc(C(C)(C)C)c2c1.Clc1n[nH]c2c1CCCC2.FC(F)(F)c1n[nH]c2c1CCCC2.FC(F)(F)c1n[nH]c2c1OCC1CC21.FC(F)c1[nH]nc2c1C(F)(F)CCC2(F)F.FC(F)c1n[nH]c2c1CCC1CC21
InChIInChI=1S/C14H18O.C13H17NO.C12H18F2N2.C12H14FN.C11H13ClF2N2.C11H17ClN2.C11H15F3N2O.C10H15F3N2.C9H8F2N2O.C9H10F2N2.C8H6F6N2.C8H7F3N2O.C8H9F3N2.C7H9ClN2.6C4H10/c1-9-7-10-5-6-11(15)8-12(10)13(9)14(2,3)4;1-13(2,3)11-8-14-12-6-5-9(15-4)7-10(11)12;1-11(2,3)16-9(8-5-6-8)7-10(15-16)12(4,13)14;1-12(2,3)10-7-14-11-5-4-8(13)6-9(10)11;1-10(2,3)16-9(12)7-5-4-6(5)11(13,14)8(7)15-16;1-11(2,3)14-10(12)8-6-4-5-7-9(8)13-14;1-10(2,3)16-8-6-17-5-4-7(8)9(15-16)11(12,13)14;1-6(11)7-5-8(9(12)13)15(14-7)10(2,3)4;1-3(14)7-6-4-2-5(4)9(10,11)8(6)13-12-7;10-9(11)8-5-2-1-4-3-6(4)7(5)12-13-8;9-6(10)4-3-5(16-15-4)8(13,14)2-1-7(3,11)12;9-8(10,11)7-6-5(12-13-7)4-1-3(4)2-14-6;9-8(10,11)7-5-3-1-2-4-6(5)12-13-7;8-7-5-3-1-2-4-6(5)9-10-7;6*1-4(2)3/h5-6,8,15H,7H2,1-4H3;5-8,14H,1-4H3;7-8H,5-6H2,1-4H3;4-7,14H,1-3H3;5-6H,4H2,1-3H3;4-7H2,1-3H3;4-6H2,1-3H3;5-6,9H,1-4H3;4-5H,2H2,1H3,(H,12,13);4,6,9H,1-3H2,(H,12,13);6H,1-2H2,(H,15,16);3-4H,1-2H2,(H,12,13);1-4H2,(H,12,13);1-4H2,(H,9,10);6*4H,1-3H3/t;;;;5-,6+;;;;4-,5+;;;;;;;;;;;/m....0...0.........../s1
InChIKeySAGRBZXGNJDMOZ-LLIVTHGPSA-N
XLogP51.17
TPSA357.75 Ų
H-Bond Donors9
H-Bond Acceptors21
Rotatable Bonds8
Heavy Atoms226
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003279.19
LogP ≤ 551.17
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1021

Analyze (2S,4R)-8-tert-butyl-9-chloro-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(9),6-diene;2-tert-butyl-3-chloro-4,5,6,7-tetrahydroindazole;1-tert-butyl-5-cyclopropyl-3-(1,1-difluoroethyl)pyrazole;1-tert-butyl-5-(difluoromethyl)-3-(1-fluoroethyl)pyrazole;3-tert-butyl-5-fluoro-1H-indole;3-tert-butyl-5-methoxy-1H-indole;3-tert-butyl-2-methyl-1H-inden-5-ol;1-tert-butyl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole;3-chloro-4,5,6,7-tetrahydro-1H-indazole;1-[(2S,4R)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-9-yl]ethanone;3-(difluoromethyl)-1,4,5,5a,6,6a-hexahydrocyclopropa[g]indazole;3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydro-2H-indazole;hexakis(2-methylpropane);8-(trifluoromethyl)-6-oxa-9,10-diazatricyclo[5.3.0.02,4]deca-1(7),8-diene;3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole with MolForge

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Launch Full Analysis

Related Compounds

1-tert-butyl-3,5-bis(difluoromethyl)pyrazole;(2S,4R)-8-tert-butyl-9-chloro-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(9),6-diene;1-tert-butyl-3-chloro-4,5,6,7-tetrahydroindazole;2-tert-butyl-3-chloro-4,5,6,7-tetrahydroindazole;1-tert-butyl-5-cyclopropyl-3-(trifluoromethyl)pyrazole;(2S,4R)-7-tert-butyl-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene-9-carboxylic acid;1-tert-butyl-3-(difluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazole;1-tert-butyl-3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazole;3-tert-butyl-5-fluoro-1H-indole;3-tert-butyl-5-methoxy-1H-indole;3-tert-butyl-2-methyl-1H-inden-5-ol;1-tert-butyl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole;10-tert-butyl-8-(trifluoromethyl)-6-oxa-9,10-diazatricyclo[5.3.0.02,4]deca-1(7),8-diene;1-tert-butyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole
CID 158553908
1-tert-butyl-3,5-bis(difluoromethyl)pyrazole;(2S,4R)-8-tert-butyl-9-chloro-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(9),6-diene;1-tert-butyl-3-chloro-4,5,6,7-tetrahydroindazole;2-tert-butyl-3-chloro-4,5,6,7-tetrahydroindazole;1-tert-butyl-5-cyclopropyl-3-(trifluoromethyl)pyrazole;(2S,4R)-7-tert-butyl-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene-9-carboxylic acid;1-tert-butyl-3-(difluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazole;1-tert-butyl-3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazole;3-tert-butyl-5-fluoro-1H-indole;3-tert-butyl-5-methoxy-1H-pyrrolo[3,2-b]pyridine;3-tert-butyl-2-methyl-1H-inden-5-ol;1-tert-butyl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole;10-tert-butyl-8-(trifluoromethyl)-6-oxa-9,10-diazatricyclo[5.3.0.02,4]deca-1(7),8-diene;1-tert-butyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole
CID 158559146
tert-butylbenzene;(2S,4R)-7-tert-butyl-9-chloro-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;1-tert-butyl-3-chloro-4,5,6,7-tetrahydroindazole;2-tert-butyl-3-chloro-4,5,6,7-tetrahydroindazole;1-tert-butyl-5-cyclopropyl-3-(1,1-difluoroethyl)pyrazole;1-[(2S,4R)-7-tert-butyl-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-9-yl]ethanone;1-tert-butyl-3-(1,1-difluoroethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole;1-tert-butyl-3-(difluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazole;1-tert-butyl-5-(difluoromethyl)-3-(1-fluoroethyl)pyrazole;1-tert-butyl-3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazole;3-tert-butyl-5-fluoro-1H-indole;3-tert-butyl-5-methoxy-1H-indole;3-tert-butyl-2-methyl-1H-inden-5-ol;10-tert-butyl-8-(trifluoromethyl)-6-oxa-9,10-diazatricyclo[5.3.0.02,4]deca-1(7),8-diene;1-tert-butyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole
CID 159220814
(2S,4R)-8-tert-butyl-9-chloro-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(9),6-diene;2-tert-butyl-3-chloro-4,5,6,7-tetrahydroindazole;1-tert-butyl-5-cyclopropyl-3-(trifluoromethyl)pyrazole;1-tert-butyl-3-(1,1-difluoroethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole;1-tert-butyl-5-(difluoromethyl)-3-(1-fluoroethyl)pyrazole;3-tert-butyl-5-fluoro-1H-indole;3-tert-butyl-5-methoxy-1H-pyrrolo[3,2-b]pyridine;3-tert-butyl-2-methyl-1H-inden-5-ol;3-chloro-4,5,6,7-tetrahydro-1H-indazole;(2S,4R)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene-9-carboxylic acid;3-(difluoromethyl)-1,4,5,5a,6,6a-hexahydrocyclopropa[g]indazole;3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydro-2H-indazole;hexakis(2-methylpropane);8-(trifluoromethyl)-6-oxa-9,10-diazatricyclo[5.3.0.02,4]deca-1(7),8-diene;3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole
CID 162038655

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-8-tert-butyl-9-chloro-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(9),6-diene;2-tert-butyl-3-chloro-4,5,6,7-tetrahydroindazole;1-tert-butyl-5-cyclopropyl-3-(1,1-difluoroethyl)pyrazole;1-tert-butyl-5-(difluoromethyl)-3-(1-fluoroethyl)pyrazole;3-tert-butyl-5-fluoro-1H-indole;3-tert-butyl-5-methoxy-1H-indole;3-tert-butyl-2-methyl-1H-inden-5-ol;1-tert-butyl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole;3-chloro-4,5,6,7-tetrahydro-1H-indazole;1-[(2S,4R)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-9-yl]ethanone;3-(difluoromethyl)-1,4,5,5a,6,6a-hexahydrocyclopropa[g]indazole;3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydro-2H-indazole;hexakis(2-methylpropane);8-(trifluoromethyl)-6-oxa-9,10-diazatricyclo[5.3.0.02,4]deca-1(7),8-diene;3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole?
The IUPAC name of (2S,4R)-8-tert-butyl-9-chloro-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(9),6-diene;2-tert-butyl-3-chloro-4,5,6,7-tetrahydroindazole;1-tert-butyl-5-cyclopropyl-3-(1,1-difluoroethyl)pyrazole;1-tert-butyl-5-(difluoromethyl)-3-(1-fluoroethyl)pyrazole;3-tert-butyl-5-fluoro-1H-indole;3-tert-butyl-5-methoxy-1H-indole;3-tert-butyl-2-methyl-1H-inden-5-ol;1-tert-butyl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole;3-chloro-4,5,6,7-tetrahydro-1H-indazole;1-[(2S,4R)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-9-yl]ethanone;3-(difluoromethyl)-1,4,5,5a,6,6a-hexahydrocyclopropa[g]indazole;3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydro-2H-indazole;hexakis(2-methylpropane);8-(trifluoromethyl)-6-oxa-9,10-diazatricyclo[5.3.0.02,4]deca-1(7),8-diene;3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole (CID 160778530) is (2S,4R)-8-tert-butyl-9-chloro-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(9),6-diene;2-tert-butyl-3-chloro-4,5,6,7-tetrahydroindazole;1-tert-butyl-5-cyclopropyl-3-(1,1-difluoroethyl)pyrazole;1-tert-butyl-5-(difluoromethyl)-3-(1-fluoroethyl)pyrazole;3-tert-butyl-5-fluoro-1H-indole;3-tert-butyl-5-methoxy-1H-indole;3-tert-butyl-2-methyl-1H-inden-5-ol;1-tert-butyl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole;3-chloro-4,5,6,7-tetrahydro-1H-indazole;1-[(2S,4R)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-9-yl]ethanone;3-(difluoromethyl)-1,4,5,5a,6,6a-hexahydrocyclopropa[g]indazole;3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydro-2H-indazole;hexakis(2-methylpropane);8-(trifluoromethyl)-6-oxa-9,10-diazatricyclo[5.3.0.02,4]deca-1(7),8-diene;3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole.
What is the SMILES notation for (2S,4R)-8-tert-butyl-9-chloro-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(9),6-diene;2-tert-butyl-3-chloro-4,5,6,7-tetrahydroindazole;1-tert-butyl-5-cyclopropyl-3-(1,1-difluoroethyl)pyrazole;1-tert-butyl-5-(difluoromethyl)-3-(1-fluoroethyl)pyrazole;3-tert-butyl-5-fluoro-1H-indole;3-tert-butyl-5-methoxy-1H-indole;3-tert-butyl-2-methyl-1H-inden-5-ol;1-tert-butyl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole;3-chloro-4,5,6,7-tetrahydro-1H-indazole;1-[(2S,4R)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-9-yl]ethanone;3-(difluoromethyl)-1,4,5,5a,6,6a-hexahydrocyclopropa[g]indazole;3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydro-2H-indazole;hexakis(2-methylpropane);8-(trifluoromethyl)-6-oxa-9,10-diazatricyclo[5.3.0.02,4]deca-1(7),8-diene;3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole?
The canonical SMILES for (2S,4R)-8-tert-butyl-9-chloro-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(9),6-diene;2-tert-butyl-3-chloro-4,5,6,7-tetrahydroindazole;1-tert-butyl-5-cyclopropyl-3-(1,1-difluoroethyl)pyrazole;1-tert-butyl-5-(difluoromethyl)-3-(1-fluoroethyl)pyrazole;3-tert-butyl-5-fluoro-1H-indole;3-tert-butyl-5-methoxy-1H-indole;3-tert-butyl-2-methyl-1H-inden-5-ol;1-tert-butyl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole;3-chloro-4,5,6,7-tetrahydro-1H-indazole;1-[(2S,4R)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-9-yl]ethanone;3-(difluoromethyl)-1,4,5,5a,6,6a-hexahydrocyclopropa[g]indazole;3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydro-2H-indazole;hexakis(2-methylpropane);8-(trifluoromethyl)-6-oxa-9,10-diazatricyclo[5.3.0.02,4]deca-1(7),8-diene;3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole is CC(=O)c1n[nH]c2c1[C@H]1C[C@H]1C2(F)F.CC(C)(C)c1c[nH]c2ccc(F)cc12.CC(C)(C)n1nc(C(F)(F)F)c2c1COCC2.CC(C)(C)n1nc2c(c1Cl)CCCC2.CC(C)(C)n1nc2c(c1Cl)[C@H]1C[C@H]1C2(F)F.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(F)(F)c1cc(C2CC2)n(C(C)(C)C)n1.CC(F)c1cc(C(F)F)n(C(C)(C)C)n1.CC1=C(C(C)(C)C)c2cc(O)ccc2C1.COc1ccc2[nH]cc(C(C)(C)C)c2c1.Clc1n[nH]c2c1CCCC2.FC(F)(F)c1n[nH]c2c1CCCC2.FC(F)(F)c1n[nH]c2c1OCC1CC21.FC(F)c1[nH]nc2c1C(F)(F)CCC2(F)F.FC(F)c1n[nH]c2c1CCC1CC21.
What is the InChIKey of (2S,4R)-8-tert-butyl-9-chloro-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(9),6-diene;2-tert-butyl-3-chloro-4,5,6,7-tetrahydroindazole;1-tert-butyl-5-cyclopropyl-3-(1,1-difluoroethyl)pyrazole;1-tert-butyl-5-(difluoromethyl)-3-(1-fluoroethyl)pyrazole;3-tert-butyl-5-fluoro-1H-indole;3-tert-butyl-5-methoxy-1H-indole;3-tert-butyl-2-methyl-1H-inden-5-ol;1-tert-butyl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole;3-chloro-4,5,6,7-tetrahydro-1H-indazole;1-[(2S,4R)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-9-yl]ethanone;3-(difluoromethyl)-1,4,5,5a,6,6a-hexahydrocyclopropa[g]indazole;3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydro-2H-indazole;hexakis(2-methylpropane);8-(trifluoromethyl)-6-oxa-9,10-diazatricyclo[5.3.0.02,4]deca-1(7),8-diene;3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole?
The InChIKey is SAGRBZXGNJDMOZ-LLIVTHGPSA-N. The full InChI is InChI=1S/C14H18O.C13H17NO.C12H18F2N2.C12H14FN.C11H13ClF2N2.C11H17ClN2.C11H15F3N2O.C10H15F3N2.C9H8F2N2O.C9H10F2N2.C8H6F6N2.C8H7F3N2O.C8H9F3N2.C7H9ClN2.6C4H10/c1-9-7-10-5-6-11(15)8-12(10)13(9)14(2,3)4;1-13(2,3)11-8-14-12-6-5-9(15-4)7-10(11)12;1-11(2,3)16-9(8-5-6-8)7-10(15-16)12(4,13)14;1-12(2,3)10-7-14-11-5-4-8(13)6-9(10)11;1-10(2,3)16-9(12)7-5-4-6(5)11(13,14)8(7)15-16;1-11(2,3)14-10(12)8-6-4-5-7-9(8)13-14;1-10(2,3)16-8-6-17-5-4-7(8)9(15-16)11(12,13)14;1-6(11)7-5-8(9(12)13)15(14-7)10(2,3)4;1-3(14)7-6-4-2-5(4)9(10,11)8(6)13-12-7;10-9(11)8-5-2-1-4-3-6(4)7(5)12-13-8;9-6(10)4-3-5(16-15-4)8(13,14)2-1-7(3,11)12;9-8(10,11)7-6-5(12-13-7)4-1-3(4)2-14-6;9-8(10,11)7-5-3-1-2-4-6(5)12-13-7;8-7-5-3-1-2-4-6(5)9-10-7;6*1-4(2)3/h5-6,8,15H,7H2,1-4H3;5-8,14H,1-4H3;7-8H,5-6H2,1-4H3;4-7,14H,1-3H3;5-6H,4H2,1-3H3;4-7H2,1-3H3;4-6H2,1-3H3;5-6,9H,1-4H3;4-5H,2H2,1H3,(H,12,13);4,6,9H,1-3H2,(H,12,13);6H,1-2H2,(H,15,16);3-4H,1-2H2,(H,12,13);1-4H2,(H,12,13);1-4H2,(H,9,10);6*4H,1-3H3/t;;;;5-,6+;;;;4-,5+;;;;;;;;;;;/m....0...0.........../s1.
What are the key properties of (2S,4R)-8-tert-butyl-9-chloro-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(9),6-diene;2-tert-butyl-3-chloro-4,5,6,7-tetrahydroindazole;1-tert-butyl-5-cyclopropyl-3-(1,1-difluoroethyl)pyrazole;1-tert-butyl-5-(difluoromethyl)-3-(1-fluoroethyl)pyrazole;3-tert-butyl-5-fluoro-1H-indole;3-tert-butyl-5-methoxy-1H-indole;3-tert-butyl-2-methyl-1H-inden-5-ol;1-tert-butyl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole;3-chloro-4,5,6,7-tetrahydro-1H-indazole;1-[(2S,4R)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-9-yl]ethanone;3-(difluoromethyl)-1,4,5,5a,6,6a-hexahydrocyclopropa[g]indazole;3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydro-2H-indazole;hexakis(2-methylpropane);8-(trifluoromethyl)-6-oxa-9,10-diazatricyclo[5.3.0.02,4]deca-1(7),8-diene;3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole?
(2S,4R)-8-tert-butyl-9-chloro-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(9),6-diene;2-tert-butyl-3-chloro-4,5,6,7-tetrahydroindazole;1-tert-butyl-5-cyclopropyl-3-(1,1-difluoroethyl)pyrazole;1-tert-butyl-5-(difluoromethyl)-3-(1-fluoroethyl)pyrazole;3-tert-butyl-5-fluoro-1H-indole;3-tert-butyl-5-methoxy-1H-indole;3-tert-butyl-2-methyl-1H-inden-5-ol;1-tert-butyl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole;3-chloro-4,5,6,7-tetrahydro-1H-indazole;1-[(2S,4R)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-9-yl]ethanone;3-(difluoromethyl)-1,4,5,5a,6,6a-hexahydrocyclopropa[g]indazole;3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydro-2H-indazole;hexakis(2-methylpropane);8-(trifluoromethyl)-6-oxa-9,10-diazatricyclo[5.3.0.02,4]deca-1(7),8-diene;3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole has a molecular weight of 3279.19 g/mol, XLogP of 51.17, 8 rotatable bonds, 9 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-8-tert-butyl-9-chloro-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(9),6-diene;2-tert-butyl-3-chloro-4,5,6,7-tetrahydroindazole;1-tert-butyl-5-cyclopropyl-3-(1,1-difluoroethyl)pyrazole;1-tert-butyl-5-(difluoromethyl)-3-(1-fluoroethyl)pyrazole;3-tert-butyl-5-fluoro-1H-indole;3-tert-butyl-5-methoxy-1H-indole;3-tert-butyl-2-methyl-1H-inden-5-ol;1-tert-butyl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole;3-chloro-4,5,6,7-tetrahydro-1H-indazole;1-[(2S,4R)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-9-yl]ethanone;3-(difluoromethyl)-1,4,5,5a,6,6a-hexahydrocyclopropa[g]indazole;3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydro-2H-indazole;hexakis(2-methylpropane);8-(trifluoromethyl)-6-oxa-9,10-diazatricyclo[5.3.0.02,4]deca-1(7),8-diene;3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole is sourced from PubChem (CID 160778530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).