5-chloro-3,6-di(propan-2-yl)-2H-pyrazolo[3,4-b]pyridine;7-chloro-3,6-di(propan-2-yl)-2H-pyrazolo[4,3-c]pyridine;5-chloro-1-methyl-3,6-di(propan-2-yl)pyrazolo[3,4-b]pyridine;7-chloro-1-methyl-3,6-di(propan-2-yl)pyrazolo[4,3-c]pyridine;1,5-dimethyl-3,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine;1,7-dimethyl-3,6-di(propan-2-yl)pyrazolo[4,3-c]pyridine;3,6-di(propan-2-yl)-2H-pyrazolo[3,4-b]pyridine;3,6-di(propan-2-yl)-5-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridine;3,6-di(propan-2-yl)-7-(trifluoromethyl)-2H-pyrazolo[4,3-c]pyridine;5-fluoro-3,6-di(propan-2-yl)-2H-pyrazolo[3,4-b]pyridine;7-fluoro-3,6-di(propan-2-yl)-2H-pyrazolo[4,3-c]pyridine;5-fluoro-1-methyl-3,6-di(propan-2-yl)pyrazolo[3,4-b]pyridine;7-fluoro-1-methyl-3,6-di(propan-2-yl)pyrazolo[4,3-c]pyridine;1-methyl-3,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine;5-methyl-3,6-di(propan-2-yl)-2H-pyrazolo[3,4-b]pyridine;7-methyl-3,6-di(propan-2-yl)-2H-pyrazolo[4,3-c]pyridine;1-methyl-3,6-di(propan-2-yl)-5-(trifluoromethyl)pyrazolo[3,4-b]pyridine

C219H302Cl4F13N51 — CID 164958148

IUPAC5-chloro-3,6-di(propan-2-yl)-2H-pyrazolo[3,4-b]pyridine;7-chloro-3,6-di(propan-2-yl)-2H-pyrazolo[4,3-c]pyridine;5-chloro-1-methyl-3,6-di(propan-2-yl)pyrazolo[3,4-b]pyridine;7-chloro-1-methyl-3,6-di(propan-2-yl)pyrazolo[4,3-c]pyridine;1,5-dimethyl-3,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine;1,7-dimethyl-3,6-di(propan-2-yl)pyrazolo[4,3-c]pyridine;3,6-di(propan-2-yl)-2H-pyrazolo[3,4-b]pyridine;3,6-di(propan-2-yl)-5-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridine;3,6-di(propan-2-yl)-7-(trifluoromethyl)-2H-pyrazolo[4,3-c]pyridine;5-fluoro-3,6-di(propan-2-yl)-2H-pyrazolo[3,4-b]pyridine;7-fluoro-3,6-di(propan-2-yl)-2H-pyrazolo[4,3-c]pyridine;5-fluoro-1-methyl-3,6-di(propan-2-yl)pyrazolo[3,4-b]pyridine;7-fluoro-1-methyl-3,6-di(propan-2-yl)pyrazolo[4,3-c]pyridine;1-methyl-3,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine;5-methyl-3,6-di(propan-2-yl)-2H-pyrazolo[3,4-b]pyridine;7-methyl-3,6-di(propan-2-yl)-2H-pyrazolo[4,3-c]pyridine;1-methyl-3,6-di(propan-2-yl)-5-(trifluoromethyl)pyrazolo[3,4-b]pyridine
SMILESCC(C)c1ccc2c(C(C)C)[nH]nc2n1.CC(C)c1ccc2c(C(C)C)nn(C)c2n1.CC(C)c1nc2c(cc1C(F)(F)F)c(C(C)C)nn2C.CC(C)c1nc2c(cc1Cl)c(C(C)C)nn2C.CC(C)c1nc2c(cc1F)c(C(C)C)nn2C.CC(C)c1nc2n[nH]c(C(C)C)c2cc1C(F)(F)F.CC(C)c1nc2n[nH]c(C(C)C)c2cc1Cl.CC(C)c1nc2n[nH]c(C(C)C)c2cc1F.CC(C)c1ncc2c(C(C)C)[nH]nc2c1C(F)(F)F.CC(C)c1ncc2c(C(C)C)[nH]nc2c1Cl.CC(C)c1ncc2c(C(C)C)[nH]nc2c1F.CC(C)c1ncc2c(C(C)C)nn(C)c2c1Cl.CC(C)c1ncc2c(C(C)C)nn(C)c2c1F.Cc1c(C(C)C)ncc2c(C(C)C)[nH]nc12.Cc1c(C(C)C)ncc2c(C(C)C)nn(C)c12.Cc1cc2c(C(C)C)[nH]nc2nc1C(C)C.Cc1cc2c(C(C)C)nn(C)c2nc1C(C)C
InChIInChI=1S/C14H18F3N3.2C14H21N3.2C13H18ClN3.2C13H16F3N3.2C13H18FN3.3C13H19N3.2C12H16ClN3.2C12H16FN3.C12H17N3/c1-7(2)11-9-6-10(14(15,16)17)12(8(3)4)18-13(9)20(5)19-11;1-8(2)12-10(5)14-11(7-15-12)13(9(3)4)16-17(14)6;1-8(2)12-10(5)7-11-13(9(3)4)16-17(6)14(11)15-12;1-7(2)11-9-6-15-12(8(3)4)10(14)13(9)17(5)16-11;1-7(2)11-9-6-10(14)12(8(3)4)15-13(9)17(5)16-11;1-6(2)10-8-5-17-11(7(3)4)9(13(14,15)16)12(8)19-18-10;1-6(2)10-8-5-9(13(14,15)16)11(7(3)4)17-12(8)19-18-10;1-7(2)11-9-6-15-12(8(3)4)10(14)13(9)17(5)16-11;1-7(2)11-9-6-10(14)12(8(3)4)15-13(9)17(5)16-11;1-8(2)11-7-6-10-12(9(3)4)15-16(5)13(10)14-11;1-7(2)11-9(5)13-10(6-14-11)12(8(3)4)15-16-13;1-7(2)11-9(5)6-10-12(8(3)4)15-16-13(10)14-11;1-6(2)10-8-5-14-11(7(3)4)9(13)12(8)16-15-10;1-6(2)10-8-5-9(13)11(7(3)4)14-12(8)16-15-10;1-6(2)10-8-5-14-11(7(3)4)9(13)12(8)16-15-10;1-6(2)10-8-5-9(13)11(7(3)4)14-12(8)16-15-10;1-7(2)10-6-5-9-11(8(3)4)14-15-12(9)13-10/h6-8H,1-5H3;2*7-9H,1-6H3;2*6-8H,1-5H3;5-7H,1-4H3,(H,18,19);5-7H,1-4H3,(H,17,18,19);2*6-8H,1-5H3;6-9H,1-5H3;6-8H,1-5H3,(H,15,16);6-8H,1-5H3,(H,14,15,16);5-7H,1-4H3,(H,15,16);5-7H,1-4H3,(H,14,15,16);5-7H,1-4H3,(H,15,16);5-7H,1-4H3,(H,14,15,16);5-8H,1-4H3,(H,13,14,15)
InChIKeyBLKOMLSMVYWDMJ-UHFFFAOYSA-N
MW4037.97 g/mol
LogP62.02
Rot. Bonds34

About 5-chloro-3,6-di(propan-2-yl)-2H-pyrazolo[3,4-b]pyridine;7-chloro-3,6-di(propan-2-yl)-2H-pyrazolo[4,3-c]pyridine;5-chloro-1-methyl-3,6-di(propan-2-yl)pyrazolo[3,4-b]pyridine;7-chloro-1-methyl-3,6-di(propan-2-yl)pyrazolo[4,3-c]pyridine;1,5-dimethyl-3,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine;1,7-dimethyl-3,6-di(propan-2-yl)pyrazolo[4,3-c]pyridine;3,6-di(propan-2-yl)-2H-pyrazolo[3,4-b]pyridine;3,6-di(propan-2-yl)-5-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridine;3,6-di(propan-2-yl)-7-(trifluoromethyl)-2H-pyrazolo[4,3-c]pyridine;5-fluoro-3,6-di(propan-2-yl)-2H-pyrazolo[3,4-b]pyridine;7-fluoro-3,6-di(propan-2-yl)-2H-pyrazolo[4,3-c]pyridine;5-fluoro-1-methyl-3,6-di(propan-2-yl)pyrazolo[3,4-b]pyridine;7-fluoro-1-methyl-3,6-di(propan-2-yl)pyrazolo[4,3-c]pyridine;1-methyl-3,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine;5-methyl-3,6-di(propan-2-yl)-2H-pyrazolo[3,4-b]pyridine;7-methyl-3,6-di(propan-2-yl)-2H-pyrazolo[4,3-c]pyridine;1-methyl-3,6-di(propan-2-yl)-5-(trifluoromethyl)pyrazolo[3,4-b]pyridine

5-chloro-3,6-di(propan-2-yl)-2H-pyrazolo[3,4-b]pyridine;7-chloro-3,6-di(propan-2-yl)-2H-pyrazolo[4,3-c]pyridine;5-chloro-1-methyl-3,6-di(propan-2-yl)pyrazolo[3,4-b]pyridine;7-chloro-1-methyl-3,6-di(propan-2-yl)pyrazolo[4,3-c]pyridine;1,5-dimethyl-3,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine;1,7-dimethyl-3,6-di(propan-2-yl)pyrazolo[4,3-c]pyridine;3,6-di(propan-2-yl)-2H-pyrazolo[3,4-b]pyridine;3,6-di(propan-2-yl)-5-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridine;3,6-di(propan-2-yl)-7-(trifluoromethyl)-2H-pyrazolo[4,3-c]pyridine;5-fluoro-3,6-di(propan-2-yl)-2H-pyrazolo[3,4-b]pyridine;7-fluoro-3,6-di(propan-2-yl)-2H-pyrazolo[4,3-c]pyridine;5-fluoro-1-methyl-3,6-di(propan-2-yl)pyrazolo[3,4-b]pyridine;7-fluoro-1-methyl-3,6-di(propan-2-yl)pyrazolo[4,3-c]pyridine;1-methyl-3,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine;5-methyl-3,6-di(propan-2-yl)-2H-pyrazolo[3,4-b]pyridine;7-methyl-3,6-di(propan-2-yl)-2H-pyrazolo[4,3-c]pyridine;1-methyl-3,6-di(propan-2-yl)-5-(trifluoromethyl)pyrazolo[3,4-b]pyridine (PubChem CID 164958148) has the molecular formula C219H302Cl4F13N51 and a molecular weight of 4037.97 g/mol. Its IUPAC name is 5-chloro-3,6-di(propan-2-yl)-2H-pyrazolo[3,4-b]pyridine;7-chloro-3,6-di(propan-2-yl)-2H-pyrazolo[4,3-c]pyridine;5-chloro-1-methyl-3,6-di(propan-2-yl)pyrazolo[3,4-b]pyridine;7-chloro-1-methyl-3,6-di(propan-2-yl)pyrazolo[4,3-c]pyridine;1,5-dimethyl-3,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine;1,7-dimethyl-3,6-di(propan-2-yl)pyrazolo[4,3-c]pyridine;3,6-di(propan-2-yl)-2H-pyrazolo[3,4-b]pyridine;3,6-di(propan-2-yl)-5-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridine;3,6-di(propan-2-yl)-7-(trifluoromethyl)-2H-pyrazolo[4,3-c]pyridine;5-fluoro-3,6-di(propan-2-yl)-2H-pyrazolo[3,4-b]pyridine;7-fluoro-3,6-di(propan-2-yl)-2H-pyrazolo[4,3-c]pyridine;5-fluoro-1-methyl-3,6-di(propan-2-yl)pyrazolo[3,4-b]pyridine;7-fluoro-1-methyl-3,6-di(propan-2-yl)pyrazolo[4,3-c]pyridine;1-methyl-3,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine;5-methyl-3,6-di(propan-2-yl)-2H-pyrazolo[3,4-b]pyridine;7-methyl-3,6-di(propan-2-yl)-2H-pyrazolo[4,3-c]pyridine;1-methyl-3,6-di(propan-2-yl)-5-(trifluoromethyl)pyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name5-chloro-3,6-di(propan-2-yl)-2H-pyrazolo[3,4-b]pyridine;7-chloro-3,6-di(propan-2-yl)-2H-pyrazolo[4,3-c]pyridine;5-chloro-1-methyl-3,6-di(propan-2-yl)pyrazolo[3,4-b]pyridine;7-chloro-1-methyl-3,6-di(propan-2-yl)pyrazolo[4,3-c]pyridine;1,5-dimethyl-3,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine;1,7-dimethyl-3,6-di(propan-2-yl)pyrazolo[4,3-c]pyridine;3,6-di(propan-2-yl)-2H-pyrazolo[3,4-b]pyridine;3,6-di(propan-2-yl)-5-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridine;3,6-di(propan-2-yl)-7-(trifluoromethyl)-2H-pyrazolo[4,3-c]pyridine;5-fluoro-3,6-di(propan-2-yl)-2H-pyrazolo[3,4-b]pyridine;7-fluoro-3,6-di(propan-2-yl)-2H-pyrazolo[4,3-c]pyridine;5-fluoro-1-methyl-3,6-di(propan-2-yl)pyrazolo[3,4-b]pyridine;7-fluoro-1-methyl-3,6-di(propan-2-yl)pyrazolo[4,3-c]pyridine;1-methyl-3,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine;5-methyl-3,6-di(propan-2-yl)-2H-pyrazolo[3,4-b]pyridine;7-methyl-3,6-di(propan-2-yl)-2H-pyrazolo[4,3-c]pyridine;1-methyl-3,6-di(propan-2-yl)-5-(trifluoromethyl)pyrazolo[3,4-b]pyridine
PubChem CID164958148
Molecular FormulaC219H302Cl4F13N51
Molecular Weight4037.97 g/mol
Exact Mass4033.37
IUPAC Name5-chloro-3,6-di(propan-2-yl)-2H-pyrazolo[3,4-b]pyridine;7-chloro-3,6-di(propan-2-yl)-2H-pyrazolo[4,3-c]pyridine;5-chloro-1-methyl-3,6-di(propan-2-yl)pyrazolo[3,4-b]pyridine;7-chloro-1-methyl-3,6-di(propan-2-yl)pyrazolo[4,3-c]pyridine;1,5-dimethyl-3,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine;1,7-dimethyl-3,6-di(propan-2-yl)pyrazolo[4,3-c]pyridine;3,6-di(propan-2-yl)-2H-pyrazolo[3,4-b]pyridine;3,6-di(propan-2-yl)-5-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridine;3,6-di(propan-2-yl)-7-(trifluoromethyl)-2H-pyrazolo[4,3-c]pyridine;5-fluoro-3,6-di(propan-2-yl)-2H-pyrazolo[3,4-b]pyridine;7-fluoro-3,6-di(propan-2-yl)-2H-pyrazolo[4,3-c]pyridine;5-fluoro-1-methyl-3,6-di(propan-2-yl)pyrazolo[3,4-b]pyridine;7-fluoro-1-methyl-3,6-di(propan-2-yl)pyrazolo[4,3-c]pyridine;1-methyl-3,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine;5-methyl-3,6-di(propan-2-yl)-2H-pyrazolo[3,4-b]pyridine;7-methyl-3,6-di(propan-2-yl)-2H-pyrazolo[4,3-c]pyridine;1-methyl-3,6-di(propan-2-yl)-5-(trifluoromethyl)pyrazolo[3,4-b]pyridine
SMILESCC(C)c1ccc2c(C(C)C)[nH]nc2n1.CC(C)c1ccc2c(C(C)C)nn(C)c2n1.CC(C)c1nc2c(cc1C(F)(F)F)c(C(C)C)nn2C.CC(C)c1nc2c(cc1Cl)c(C(C)C)nn2C.CC(C)c1nc2c(cc1F)c(C(C)C)nn2C.CC(C)c1nc2n[nH]c(C(C)C)c2cc1C(F)(F)F.CC(C)c1nc2n[nH]c(C(C)C)c2cc1Cl.CC(C)c1nc2n[nH]c(C(C)C)c2cc1F.CC(C)c1ncc2c(C(C)C)[nH]nc2c1C(F)(F)F.CC(C)c1ncc2c(C(C)C)[nH]nc2c1Cl.CC(C)c1ncc2c(C(C)C)[nH]nc2c1F.CC(C)c1ncc2c(C(C)C)nn(C)c2c1Cl.CC(C)c1ncc2c(C(C)C)nn(C)c2c1F.Cc1c(C(C)C)ncc2c(C(C)C)[nH]nc12.Cc1c(C(C)C)ncc2c(C(C)C)nn(C)c12.Cc1cc2c(C(C)C)[nH]nc2nc1C(C)C.Cc1cc2c(C(C)C)nn(C)c2nc1C(C)C
InChIInChI=1S/C14H18F3N3.2C14H21N3.2C13H18ClN3.2C13H16F3N3.2C13H18FN3.3C13H19N3.2C12H16ClN3.2C12H16FN3.C12H17N3/c1-7(2)11-9-6-10(14(15,16)17)12(8(3)4)18-13(9)20(5)19-11;1-8(2)12-10(5)14-11(7-15-12)13(9(3)4)16-17(14)6;1-8(2)12-10(5)7-11-13(9(3)4)16-17(6)14(11)15-12;1-7(2)11-9-6-15-12(8(3)4)10(14)13(9)17(5)16-11;1-7(2)11-9-6-10(14)12(8(3)4)15-13(9)17(5)16-11;1-6(2)10-8-5-17-11(7(3)4)9(13(14,15)16)12(8)19-18-10;1-6(2)10-8-5-9(13(14,15)16)11(7(3)4)17-12(8)19-18-10;1-7(2)11-9-6-15-12(8(3)4)10(14)13(9)17(5)16-11;1-7(2)11-9-6-10(14)12(8(3)4)15-13(9)17(5)16-11;1-8(2)11-7-6-10-12(9(3)4)15-16(5)13(10)14-11;1-7(2)11-9(5)13-10(6-14-11)12(8(3)4)15-16-13;1-7(2)11-9(5)6-10-12(8(3)4)15-16-13(10)14-11;1-6(2)10-8-5-14-11(7(3)4)9(13)12(8)16-15-10;1-6(2)10-8-5-9(13)11(7(3)4)14-12(8)16-15-10;1-6(2)10-8-5-14-11(7(3)4)9(13)12(8)16-15-10;1-6(2)10-8-5-9(13)11(7(3)4)14-12(8)16-15-10;1-7(2)10-6-5-9-11(8(3)4)14-15-12(9)13-10/h6-8H,1-5H3;2*7-9H,1-6H3;2*6-8H,1-5H3;5-7H,1-4H3,(H,18,19);5-7H,1-4H3,(H,17,18,19);2*6-8H,1-5H3;6-9H,1-5H3;6-8H,1-5H3,(H,15,16);6-8H,1-5H3,(H,14,15,16);5-7H,1-4H3,(H,15,16);5-7H,1-4H3,(H,14,15,16);5-7H,1-4H3,(H,15,16);5-7H,1-4H3,(H,14,15,16);5-8H,1-4H3,(H,13,14,15)
InChIKeyBLKOMLSMVYWDMJ-UHFFFAOYSA-N
XLogP62.02
TPSA619.81 Ų
H-Bond Donors9
H-Bond Acceptors42
Rotatable Bonds34
Heavy Atoms287
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004037.97
LogP ≤ 562.02
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1042

Analyze 5-chloro-3,6-di(propan-2-yl)-2H-pyrazolo[3,4-b]pyridine;7-chloro-3,6-di(propan-2-yl)-2H-pyrazolo[4,3-c]pyridine;5-chloro-1-methyl-3,6-di(propan-2-yl)pyrazolo[3,4-b]pyridine;7-chloro-1-methyl-3,6-di(propan-2-yl)pyrazolo[4,3-c]pyridine;1,5-dimethyl-3,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine;1,7-dimethyl-3,6-di(propan-2-yl)pyrazolo[4,3-c]pyridine;3,6-di(propan-2-yl)-2H-pyrazolo[3,4-b]pyridine;3,6-di(propan-2-yl)-5-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridine;3,6-di(propan-2-yl)-7-(trifluoromethyl)-2H-pyrazolo[4,3-c]pyridine;5-fluoro-3,6-di(propan-2-yl)-2H-pyrazolo[3,4-b]pyridine;7-fluoro-3,6-di(propan-2-yl)-2H-pyrazolo[4,3-c]pyridine;5-fluoro-1-methyl-3,6-di(propan-2-yl)pyrazolo[3,4-b]pyridine;7-fluoro-1-methyl-3,6-di(propan-2-yl)pyrazolo[4,3-c]pyridine;1-methyl-3,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine;5-methyl-3,6-di(propan-2-yl)-2H-pyrazolo[3,4-b]pyridine;7-methyl-3,6-di(propan-2-yl)-2H-pyrazolo[4,3-c]pyridine;1-methyl-3,6-di(propan-2-yl)-5-(trifluoromethyl)pyrazolo[3,4-b]pyridine with MolForge

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What is the IUPAC name of 5-chloro-3,6-di(propan-2-yl)-2H-pyrazolo[3,4-b]pyridine;7-chloro-3,6-di(propan-2-yl)-2H-pyrazolo[4,3-c]pyridine;5-chloro-1-methyl-3,6-di(propan-2-yl)pyrazolo[3,4-b]pyridine;7-chloro-1-methyl-3,6-di(propan-2-yl)pyrazolo[4,3-c]pyridine;1,5-dimethyl-3,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine;1,7-dimethyl-3,6-di(propan-2-yl)pyrazolo[4,3-c]pyridine;3,6-di(propan-2-yl)-2H-pyrazolo[3,4-b]pyridine;3,6-di(propan-2-yl)-5-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridine;3,6-di(propan-2-yl)-7-(trifluoromethyl)-2H-pyrazolo[4,3-c]pyridine;5-fluoro-3,6-di(propan-2-yl)-2H-pyrazolo[3,4-b]pyridine;7-fluoro-3,6-di(propan-2-yl)-2H-pyrazolo[4,3-c]pyridine;5-fluoro-1-methyl-3,6-di(propan-2-yl)pyrazolo[3,4-b]pyridine;7-fluoro-1-methyl-3,6-di(propan-2-yl)pyrazolo[4,3-c]pyridine;1-methyl-3,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine;5-methyl-3,6-di(propan-2-yl)-2H-pyrazolo[3,4-b]pyridine;7-methyl-3,6-di(propan-2-yl)-2H-pyrazolo[4,3-c]pyridine;1-methyl-3,6-di(propan-2-yl)-5-(trifluoromethyl)pyrazolo[3,4-b]pyridine?
The IUPAC name of 5-chloro-3,6-di(propan-2-yl)-2H-pyrazolo[3,4-b]pyridine;7-chloro-3,6-di(propan-2-yl)-2H-pyrazolo[4,3-c]pyridine;5-chloro-1-methyl-3,6-di(propan-2-yl)pyrazolo[3,4-b]pyridine;7-chloro-1-methyl-3,6-di(propan-2-yl)pyrazolo[4,3-c]pyridine;1,5-dimethyl-3,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine;1,7-dimethyl-3,6-di(propan-2-yl)pyrazolo[4,3-c]pyridine;3,6-di(propan-2-yl)-2H-pyrazolo[3,4-b]pyridine;3,6-di(propan-2-yl)-5-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridine;3,6-di(propan-2-yl)-7-(trifluoromethyl)-2H-pyrazolo[4,3-c]pyridine;5-fluoro-3,6-di(propan-2-yl)-2H-pyrazolo[3,4-b]pyridine;7-fluoro-3,6-di(propan-2-yl)-2H-pyrazolo[4,3-c]pyridine;5-fluoro-1-methyl-3,6-di(propan-2-yl)pyrazolo[3,4-b]pyridine;7-fluoro-1-methyl-3,6-di(propan-2-yl)pyrazolo[4,3-c]pyridine;1-methyl-3,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine;5-methyl-3,6-di(propan-2-yl)-2H-pyrazolo[3,4-b]pyridine;7-methyl-3,6-di(propan-2-yl)-2H-pyrazolo[4,3-c]pyridine;1-methyl-3,6-di(propan-2-yl)-5-(trifluoromethyl)pyrazolo[3,4-b]pyridine (CID 164958148) is 5-chloro-3,6-di(propan-2-yl)-2H-pyrazolo[3,4-b]pyridine;7-chloro-3,6-di(propan-2-yl)-2H-pyrazolo[4,3-c]pyridine;5-chloro-1-methyl-3,6-di(propan-2-yl)pyrazolo[3,4-b]pyridine;7-chloro-1-methyl-3,6-di(propan-2-yl)pyrazolo[4,3-c]pyridine;1,5-dimethyl-3,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine;1,7-dimethyl-3,6-di(propan-2-yl)pyrazolo[4,3-c]pyridine;3,6-di(propan-2-yl)-2H-pyrazolo[3,4-b]pyridine;3,6-di(propan-2-yl)-5-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridine;3,6-di(propan-2-yl)-7-(trifluoromethyl)-2H-pyrazolo[4,3-c]pyridine;5-fluoro-3,6-di(propan-2-yl)-2H-pyrazolo[3,4-b]pyridine;7-fluoro-3,6-di(propan-2-yl)-2H-pyrazolo[4,3-c]pyridine;5-fluoro-1-methyl-3,6-di(propan-2-yl)pyrazolo[3,4-b]pyridine;7-fluoro-1-methyl-3,6-di(propan-2-yl)pyrazolo[4,3-c]pyridine;1-methyl-3,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine;5-methyl-3,6-di(propan-2-yl)-2H-pyrazolo[3,4-b]pyridine;7-methyl-3,6-di(propan-2-yl)-2H-pyrazolo[4,3-c]pyridine;1-methyl-3,6-di(propan-2-yl)-5-(trifluoromethyl)pyrazolo[3,4-b]pyridine.
What is the SMILES notation for 5-chloro-3,6-di(propan-2-yl)-2H-pyrazolo[3,4-b]pyridine;7-chloro-3,6-di(propan-2-yl)-2H-pyrazolo[4,3-c]pyridine;5-chloro-1-methyl-3,6-di(propan-2-yl)pyrazolo[3,4-b]pyridine;7-chloro-1-methyl-3,6-di(propan-2-yl)pyrazolo[4,3-c]pyridine;1,5-dimethyl-3,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine;1,7-dimethyl-3,6-di(propan-2-yl)pyrazolo[4,3-c]pyridine;3,6-di(propan-2-yl)-2H-pyrazolo[3,4-b]pyridine;3,6-di(propan-2-yl)-5-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridine;3,6-di(propan-2-yl)-7-(trifluoromethyl)-2H-pyrazolo[4,3-c]pyridine;5-fluoro-3,6-di(propan-2-yl)-2H-pyrazolo[3,4-b]pyridine;7-fluoro-3,6-di(propan-2-yl)-2H-pyrazolo[4,3-c]pyridine;5-fluoro-1-methyl-3,6-di(propan-2-yl)pyrazolo[3,4-b]pyridine;7-fluoro-1-methyl-3,6-di(propan-2-yl)pyrazolo[4,3-c]pyridine;1-methyl-3,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine;5-methyl-3,6-di(propan-2-yl)-2H-pyrazolo[3,4-b]pyridine;7-methyl-3,6-di(propan-2-yl)-2H-pyrazolo[4,3-c]pyridine;1-methyl-3,6-di(propan-2-yl)-5-(trifluoromethyl)pyrazolo[3,4-b]pyridine?
The canonical SMILES for 5-chloro-3,6-di(propan-2-yl)-2H-pyrazolo[3,4-b]pyridine;7-chloro-3,6-di(propan-2-yl)-2H-pyrazolo[4,3-c]pyridine;5-chloro-1-methyl-3,6-di(propan-2-yl)pyrazolo[3,4-b]pyridine;7-chloro-1-methyl-3,6-di(propan-2-yl)pyrazolo[4,3-c]pyridine;1,5-dimethyl-3,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine;1,7-dimethyl-3,6-di(propan-2-yl)pyrazolo[4,3-c]pyridine;3,6-di(propan-2-yl)-2H-pyrazolo[3,4-b]pyridine;3,6-di(propan-2-yl)-5-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridine;3,6-di(propan-2-yl)-7-(trifluoromethyl)-2H-pyrazolo[4,3-c]pyridine;5-fluoro-3,6-di(propan-2-yl)-2H-pyrazolo[3,4-b]pyridine;7-fluoro-3,6-di(propan-2-yl)-2H-pyrazolo[4,3-c]pyridine;5-fluoro-1-methyl-3,6-di(propan-2-yl)pyrazolo[3,4-b]pyridine;7-fluoro-1-methyl-3,6-di(propan-2-yl)pyrazolo[4,3-c]pyridine;1-methyl-3,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine;5-methyl-3,6-di(propan-2-yl)-2H-pyrazolo[3,4-b]pyridine;7-methyl-3,6-di(propan-2-yl)-2H-pyrazolo[4,3-c]pyridine;1-methyl-3,6-di(propan-2-yl)-5-(trifluoromethyl)pyrazolo[3,4-b]pyridine is CC(C)c1ccc2c(C(C)C)[nH]nc2n1.CC(C)c1ccc2c(C(C)C)nn(C)c2n1.CC(C)c1nc2c(cc1C(F)(F)F)c(C(C)C)nn2C.CC(C)c1nc2c(cc1Cl)c(C(C)C)nn2C.CC(C)c1nc2c(cc1F)c(C(C)C)nn2C.CC(C)c1nc2n[nH]c(C(C)C)c2cc1C(F)(F)F.CC(C)c1nc2n[nH]c(C(C)C)c2cc1Cl.CC(C)c1nc2n[nH]c(C(C)C)c2cc1F.CC(C)c1ncc2c(C(C)C)[nH]nc2c1C(F)(F)F.CC(C)c1ncc2c(C(C)C)[nH]nc2c1Cl.CC(C)c1ncc2c(C(C)C)[nH]nc2c1F.CC(C)c1ncc2c(C(C)C)nn(C)c2c1Cl.CC(C)c1ncc2c(C(C)C)nn(C)c2c1F.Cc1c(C(C)C)ncc2c(C(C)C)[nH]nc12.Cc1c(C(C)C)ncc2c(C(C)C)nn(C)c12.Cc1cc2c(C(C)C)[nH]nc2nc1C(C)C.Cc1cc2c(C(C)C)nn(C)c2nc1C(C)C.
What is the InChIKey of 5-chloro-3,6-di(propan-2-yl)-2H-pyrazolo[3,4-b]pyridine;7-chloro-3,6-di(propan-2-yl)-2H-pyrazolo[4,3-c]pyridine;5-chloro-1-methyl-3,6-di(propan-2-yl)pyrazolo[3,4-b]pyridine;7-chloro-1-methyl-3,6-di(propan-2-yl)pyrazolo[4,3-c]pyridine;1,5-dimethyl-3,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine;1,7-dimethyl-3,6-di(propan-2-yl)pyrazolo[4,3-c]pyridine;3,6-di(propan-2-yl)-2H-pyrazolo[3,4-b]pyridine;3,6-di(propan-2-yl)-5-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridine;3,6-di(propan-2-yl)-7-(trifluoromethyl)-2H-pyrazolo[4,3-c]pyridine;5-fluoro-3,6-di(propan-2-yl)-2H-pyrazolo[3,4-b]pyridine;7-fluoro-3,6-di(propan-2-yl)-2H-pyrazolo[4,3-c]pyridine;5-fluoro-1-methyl-3,6-di(propan-2-yl)pyrazolo[3,4-b]pyridine;7-fluoro-1-methyl-3,6-di(propan-2-yl)pyrazolo[4,3-c]pyridine;1-methyl-3,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine;5-methyl-3,6-di(propan-2-yl)-2H-pyrazolo[3,4-b]pyridine;7-methyl-3,6-di(propan-2-yl)-2H-pyrazolo[4,3-c]pyridine;1-methyl-3,6-di(propan-2-yl)-5-(trifluoromethyl)pyrazolo[3,4-b]pyridine?
The InChIKey is BLKOMLSMVYWDMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N3.2C14H21N3.2C13H18ClN3.2C13H16F3N3.2C13H18FN3.3C13H19N3.2C12H16ClN3.2C12H16FN3.C12H17N3/c1-7(2)11-9-6-10(14(15,16)17)12(8(3)4)18-13(9)20(5)19-11;1-8(2)12-10(5)14-11(7-15-12)13(9(3)4)16-17(14)6;1-8(2)12-10(5)7-11-13(9(3)4)16-17(6)14(11)15-12;1-7(2)11-9-6-15-12(8(3)4)10(14)13(9)17(5)16-11;1-7(2)11-9-6-10(14)12(8(3)4)15-13(9)17(5)16-11;1-6(2)10-8-5-17-11(7(3)4)9(13(14,15)16)12(8)19-18-10;1-6(2)10-8-5-9(13(14,15)16)11(7(3)4)17-12(8)19-18-10;1-7(2)11-9-6-15-12(8(3)4)10(14)13(9)17(5)16-11;1-7(2)11-9-6-10(14)12(8(3)4)15-13(9)17(5)16-11;1-8(2)11-7-6-10-12(9(3)4)15-16(5)13(10)14-11;1-7(2)11-9(5)13-10(6-14-11)12(8(3)4)15-16-13;1-7(2)11-9(5)6-10-12(8(3)4)15-16-13(10)14-11;1-6(2)10-8-5-14-11(7(3)4)9(13)12(8)16-15-10;1-6(2)10-8-5-9(13)11(7(3)4)14-12(8)16-15-10;1-6(2)10-8-5-14-11(7(3)4)9(13)12(8)16-15-10;1-6(2)10-8-5-9(13)11(7(3)4)14-12(8)16-15-10;1-7(2)10-6-5-9-11(8(3)4)14-15-12(9)13-10/h6-8H,1-5H3;2*7-9H,1-6H3;2*6-8H,1-5H3;5-7H,1-4H3,(H,18,19);5-7H,1-4H3,(H,17,18,19);2*6-8H,1-5H3;6-9H,1-5H3;6-8H,1-5H3,(H,15,16);6-8H,1-5H3,(H,14,15,16);5-7H,1-4H3,(H,15,16);5-7H,1-4H3,(H,14,15,16);5-7H,1-4H3,(H,15,16);5-7H,1-4H3,(H,14,15,16);5-8H,1-4H3,(H,13,14,15).
What are the key properties of 5-chloro-3,6-di(propan-2-yl)-2H-pyrazolo[3,4-b]pyridine;7-chloro-3,6-di(propan-2-yl)-2H-pyrazolo[4,3-c]pyridine;5-chloro-1-methyl-3,6-di(propan-2-yl)pyrazolo[3,4-b]pyridine;7-chloro-1-methyl-3,6-di(propan-2-yl)pyrazolo[4,3-c]pyridine;1,5-dimethyl-3,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine;1,7-dimethyl-3,6-di(propan-2-yl)pyrazolo[4,3-c]pyridine;3,6-di(propan-2-yl)-2H-pyrazolo[3,4-b]pyridine;3,6-di(propan-2-yl)-5-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridine;3,6-di(propan-2-yl)-7-(trifluoromethyl)-2H-pyrazolo[4,3-c]pyridine;5-fluoro-3,6-di(propan-2-yl)-2H-pyrazolo[3,4-b]pyridine;7-fluoro-3,6-di(propan-2-yl)-2H-pyrazolo[4,3-c]pyridine;5-fluoro-1-methyl-3,6-di(propan-2-yl)pyrazolo[3,4-b]pyridine;7-fluoro-1-methyl-3,6-di(propan-2-yl)pyrazolo[4,3-c]pyridine;1-methyl-3,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine;5-methyl-3,6-di(propan-2-yl)-2H-pyrazolo[3,4-b]pyridine;7-methyl-3,6-di(propan-2-yl)-2H-pyrazolo[4,3-c]pyridine;1-methyl-3,6-di(propan-2-yl)-5-(trifluoromethyl)pyrazolo[3,4-b]pyridine?
5-chloro-3,6-di(propan-2-yl)-2H-pyrazolo[3,4-b]pyridine;7-chloro-3,6-di(propan-2-yl)-2H-pyrazolo[4,3-c]pyridine;5-chloro-1-methyl-3,6-di(propan-2-yl)pyrazolo[3,4-b]pyridine;7-chloro-1-methyl-3,6-di(propan-2-yl)pyrazolo[4,3-c]pyridine;1,5-dimethyl-3,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine;1,7-dimethyl-3,6-di(propan-2-yl)pyrazolo[4,3-c]pyridine;3,6-di(propan-2-yl)-2H-pyrazolo[3,4-b]pyridine;3,6-di(propan-2-yl)-5-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridine;3,6-di(propan-2-yl)-7-(trifluoromethyl)-2H-pyrazolo[4,3-c]pyridine;5-fluoro-3,6-di(propan-2-yl)-2H-pyrazolo[3,4-b]pyridine;7-fluoro-3,6-di(propan-2-yl)-2H-pyrazolo[4,3-c]pyridine;5-fluoro-1-methyl-3,6-di(propan-2-yl)pyrazolo[3,4-b]pyridine;7-fluoro-1-methyl-3,6-di(propan-2-yl)pyrazolo[4,3-c]pyridine;1-methyl-3,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine;5-methyl-3,6-di(propan-2-yl)-2H-pyrazolo[3,4-b]pyridine;7-methyl-3,6-di(propan-2-yl)-2H-pyrazolo[4,3-c]pyridine;1-methyl-3,6-di(propan-2-yl)-5-(trifluoromethyl)pyrazolo[3,4-b]pyridine has a molecular weight of 4037.97 g/mol, XLogP of 62.02, 34 rotatable bonds, 9 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3,6-di(propan-2-yl)-2H-pyrazolo[3,4-b]pyridine;7-chloro-3,6-di(propan-2-yl)-2H-pyrazolo[4,3-c]pyridine;5-chloro-1-methyl-3,6-di(propan-2-yl)pyrazolo[3,4-b]pyridine;7-chloro-1-methyl-3,6-di(propan-2-yl)pyrazolo[4,3-c]pyridine;1,5-dimethyl-3,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine;1,7-dimethyl-3,6-di(propan-2-yl)pyrazolo[4,3-c]pyridine;3,6-di(propan-2-yl)-2H-pyrazolo[3,4-b]pyridine;3,6-di(propan-2-yl)-5-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridine;3,6-di(propan-2-yl)-7-(trifluoromethyl)-2H-pyrazolo[4,3-c]pyridine;5-fluoro-3,6-di(propan-2-yl)-2H-pyrazolo[3,4-b]pyridine;7-fluoro-3,6-di(propan-2-yl)-2H-pyrazolo[4,3-c]pyridine;5-fluoro-1-methyl-3,6-di(propan-2-yl)pyrazolo[3,4-b]pyridine;7-fluoro-1-methyl-3,6-di(propan-2-yl)pyrazolo[4,3-c]pyridine;1-methyl-3,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine;5-methyl-3,6-di(propan-2-yl)-2H-pyrazolo[3,4-b]pyridine;7-methyl-3,6-di(propan-2-yl)-2H-pyrazolo[4,3-c]pyridine;1-methyl-3,6-di(propan-2-yl)-5-(trifluoromethyl)pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 164958148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).