8-[1-(2-deuteriopropan-2-yl)-2-methyl-2H-imidazo[4,5-b]pyridin-3-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;8-[3-(2-deuteriopropan-2-yl)-2-methyl-2H-imidazo[4,5-b]pyridin-1-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[2-methyl-1-(1,1,1,2-tetradeuteriopropan-2-yl)-2H-imidazo[4,5-b]pyridin-3-yl]-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[2-methyl-1-(trideuteriomethyl)-2H-imidazo[4,5-b]pyridin-3-yl]-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[2-methyl-3-(trideuteriomethyl)-2H-imidazo[4,5-b]pyridin-1-yl]-[1]benzofuro[2,3-b]pyridine

C106H102N20O5 — CID 162301934

IUPAC8-[1-(2-deuteriopropan-2-yl)-2-methyl-2H-imidazo[4,5-b]pyridin-3-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;8-[3-(2-deuteriopropan-2-yl)-2-methyl-2H-imidazo[4,5-b]pyridin-1-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[2-methyl-1-(1,1,1,2-tetradeuteriopropan-2-yl)-2H-imidazo[4,5-b]pyridin-3-yl]-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[2-methyl-1-(trideuteriomethyl)-2H-imidazo[4,5-b]pyridin-3-yl]-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[2-methyl-3-(trideuteriomethyl)-2H-imidazo[4,5-b]pyridin-1-yl]-[1]benzofuro[2,3-b]pyridine
SMILES[2H]C(C)(C)N1c2cccnc2N(c2c(C)ccc3c2oc2ncccc23)C1C.[2H]C(C)(C)N1c2ncccc2N(c2c(C)ccc3c2oc2ncccc23)C1C.[2H]C([2H])([2H])C([2H])(C)N1c2cccnc2N(c2c(C)ccc3c2oc2ncccc23)C1C.[2H]C([2H])([2H])N1c2cccnc2N(c2c(C)ccc3c2oc2ncccc23)C1C.[2H]C([2H])([2H])N1c2ncccc2N(c2c(C)ccc3c2oc2ncccc23)C1C
InChIInChI=1S/3C22H22N4O.2C20H18N4O/c1-13(2)25-15(4)26(18-8-6-11-23-21(18)25)19-14(3)9-10-16-17-7-5-12-24-22(17)27-20(16)19;2*1-13(2)25-15(4)26(21-18(25)8-6-11-23-21)19-14(3)9-10-16-17-7-5-12-24-22(17)27-20(16)19;1-12-8-9-14-15-6-4-11-22-20(15)25-18(14)17(12)24-13(2)23(3)19-16(24)7-5-10-21-19;1-12-8-9-14-15-6-4-11-22-20(15)25-18(14)17(12)24-13(2)23(3)16-7-5-10-21-19(16)24/h3*5-13,15H,1-4H3;2*4-11,13H,1-3H3/i13D;1D3,13D;13D;2*3D3
InChIKeyTWAQQFWCJHHVLO-JXXSGNOKSA-N
MW1748.19 g/mol
LogP25.43
Rot. Bonds11

About 8-[1-(2-deuteriopropan-2-yl)-2-methyl-2H-imidazo[4,5-b]pyridin-3-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;8-[3-(2-deuteriopropan-2-yl)-2-methyl-2H-imidazo[4,5-b]pyridin-1-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[2-methyl-1-(1,1,1,2-tetradeuteriopropan-2-yl)-2H-imidazo[4,5-b]pyridin-3-yl]-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[2-methyl-1-(trideuteriomethyl)-2H-imidazo[4,5-b]pyridin-3-yl]-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[2-methyl-3-(trideuteriomethyl)-2H-imidazo[4,5-b]pyridin-1-yl]-[1]benzofuro[2,3-b]pyridine

8-[1-(2-deuteriopropan-2-yl)-2-methyl-2H-imidazo[4,5-b]pyridin-3-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;8-[3-(2-deuteriopropan-2-yl)-2-methyl-2H-imidazo[4,5-b]pyridin-1-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[2-methyl-1-(1,1,1,2-tetradeuteriopropan-2-yl)-2H-imidazo[4,5-b]pyridin-3-yl]-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[2-methyl-1-(trideuteriomethyl)-2H-imidazo[4,5-b]pyridin-3-yl]-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[2-methyl-3-(trideuteriomethyl)-2H-imidazo[4,5-b]pyridin-1-yl]-[1]benzofuro[2,3-b]pyridine (PubChem CID 162301934) has the molecular formula C106H102N20O5 and a molecular weight of 1748.19 g/mol. Its IUPAC name is 8-[1-(2-deuteriopropan-2-yl)-2-methyl-2H-imidazo[4,5-b]pyridin-3-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;8-[3-(2-deuteriopropan-2-yl)-2-methyl-2H-imidazo[4,5-b]pyridin-1-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[2-methyl-1-(1,1,1,2-tetradeuteriopropan-2-yl)-2H-imidazo[4,5-b]pyridin-3-yl]-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[2-methyl-1-(trideuteriomethyl)-2H-imidazo[4,5-b]pyridin-3-yl]-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[2-methyl-3-(trideuteriomethyl)-2H-imidazo[4,5-b]pyridin-1-yl]-[1]benzofuro[2,3-b]pyridine.

Molecular Properties

Compound Name8-[1-(2-deuteriopropan-2-yl)-2-methyl-2H-imidazo[4,5-b]pyridin-3-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;8-[3-(2-deuteriopropan-2-yl)-2-methyl-2H-imidazo[4,5-b]pyridin-1-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[2-methyl-1-(1,1,1,2-tetradeuteriopropan-2-yl)-2H-imidazo[4,5-b]pyridin-3-yl]-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[2-methyl-1-(trideuteriomethyl)-2H-imidazo[4,5-b]pyridin-3-yl]-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[2-methyl-3-(trideuteriomethyl)-2H-imidazo[4,5-b]pyridin-1-yl]-[1]benzofuro[2,3-b]pyridine
PubChem CID162301934
Molecular FormulaC106H102N20O5
Molecular Weight1748.19 g/mol
Exact Mass1746.91
IUPAC Name8-[1-(2-deuteriopropan-2-yl)-2-methyl-2H-imidazo[4,5-b]pyridin-3-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;8-[3-(2-deuteriopropan-2-yl)-2-methyl-2H-imidazo[4,5-b]pyridin-1-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[2-methyl-1-(1,1,1,2-tetradeuteriopropan-2-yl)-2H-imidazo[4,5-b]pyridin-3-yl]-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[2-methyl-1-(trideuteriomethyl)-2H-imidazo[4,5-b]pyridin-3-yl]-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[2-methyl-3-(trideuteriomethyl)-2H-imidazo[4,5-b]pyridin-1-yl]-[1]benzofuro[2,3-b]pyridine
SMILES[2H]C(C)(C)N1c2cccnc2N(c2c(C)ccc3c2oc2ncccc23)C1C.[2H]C(C)(C)N1c2ncccc2N(c2c(C)ccc3c2oc2ncccc23)C1C.[2H]C([2H])([2H])C([2H])(C)N1c2cccnc2N(c2c(C)ccc3c2oc2ncccc23)C1C.[2H]C([2H])([2H])N1c2cccnc2N(c2c(C)ccc3c2oc2ncccc23)C1C.[2H]C([2H])([2H])N1c2ncccc2N(c2c(C)ccc3c2oc2ncccc23)C1C
InChIInChI=1S/3C22H22N4O.2C20H18N4O/c1-13(2)25-15(4)26(18-8-6-11-23-21(18)25)19-14(3)9-10-16-17-7-5-12-24-22(17)27-20(16)19;2*1-13(2)25-15(4)26(21-18(25)8-6-11-23-21)19-14(3)9-10-16-17-7-5-12-24-22(17)27-20(16)19;1-12-8-9-14-15-6-4-11-22-20(15)25-18(14)17(12)24-13(2)23(3)19-16(24)7-5-10-21-19;1-12-8-9-14-15-6-4-11-22-20(15)25-18(14)17(12)24-13(2)23(3)16-7-5-10-21-19(16)24/h3*5-13,15H,1-4H3;2*4-11,13H,1-3H3/i13D;1D3,13D;13D;2*3D3
InChIKeyTWAQQFWCJHHVLO-JXXSGNOKSA-N
XLogP25.43
TPSA227.00 Ų
H-Bond Donors
H-Bond Acceptors25
Rotatable Bonds11
Heavy Atoms131
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001748.19
LogP ≤ 525.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1025

Analyze 8-[1-(2-deuteriopropan-2-yl)-2-methyl-2H-imidazo[4,5-b]pyridin-3-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;8-[3-(2-deuteriopropan-2-yl)-2-methyl-2H-imidazo[4,5-b]pyridin-1-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[2-methyl-1-(1,1,1,2-tetradeuteriopropan-2-yl)-2H-imidazo[4,5-b]pyridin-3-yl]-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[2-methyl-1-(trideuteriomethyl)-2H-imidazo[4,5-b]pyridin-3-yl]-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[2-methyl-3-(trideuteriomethyl)-2H-imidazo[4,5-b]pyridin-1-yl]-[1]benzofuro[2,3-b]pyridine with MolForge

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Related Compounds

8-[(2S)-1-(2-deuteriopropan-2-yl)-2-methyl-2H-imidazo[4,5-b]pyridin-3-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;bis(8-[(2R)-3-(2-deuteriopropan-2-yl)-2-methyl-2H-imidazo[4,5-b]pyridin-1-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine);7-methyl-8-[(2S)-2-methyl-3-(trideuteriomethyl)-2H-imidazo[4,5-b]pyrazin-1-yl]-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[(2R)-2-methyl-3-(trideuteriomethyl)-2H-imidazo[4,5-b]pyridin-1-yl]-[1]benzofuro[2,3-b]pyridine
CID 158463883
8-[3-(2-deuteriopropan-2-yl)-2-methyl-2H-imidazo[4,5-b]pyrazin-1-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[2-methyl-3-(1,1,1,2-tetradeuteriopropan-2-yl)-2H-imidazo[4,5-b]pyrazin-1-yl]-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[2-methyl-3-(1,1,1,2-tetradeuteriopropan-2-yl)-2H-imidazo[4,5-b]pyridin-1-yl]-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[2-methyl-3-(trideuteriomethyl)-2H-imidazo[4,5-b]pyrazin-1-yl]-[1]benzofuro[2,3-b]pyridine
CID 162301948
8-[3-(2-deuteriopropan-2-yl)-2-methyl-2H-benzimidazol-1-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[2-methyl-3-(1,1,1,2-tetradeuteriopropan-2-yl)-2H-benzimidazol-1-yl]-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[2-methyl-3-(trideuteriomethyl)-2H-benzimidazol-1-yl]-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[2-methyl-1-(trideuteriomethyl)-2H-imidazo[4,5-b]pyridin-3-yl]-[1]benzofuro[2,3-b]pyridine
CID 162301926
7-methyl-8-[2-methyl-3-(1,1,1,2-tetradeuteriopropan-2-yl)-2H-imidazo[4,5-b]pyridin-1-yl]-[1]benzofuro[2,3-b]pyridine
CID 162269283
8-[1-(2-deuteriopropan-2-yl)-2-methyl-2H-imidazo[4,5-b]pyridin-3-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;bis(8-[3-(2-deuteriopropan-2-yl)-2-methyl-2H-imidazo[4,5-b]pyridin-1-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine);2,7-dimethyl-8-[2-methyl-3-(trideuteriomethyl)-2H-imidazo[4,5-b]pyridin-1-yl]-[1]benzofuro[2,3-b]pyridine
CID 158567195
bis(1-(2-deuteriopropan-2-yl)-2-methyl-3-(3-methyldibenzofuran-4-yl)-2H-imidazo[4,5-b]pyridine);3-(2-deuteriopropan-2-yl)-2-methyl-1-(3-methyldibenzofuran-4-yl)-2H-imidazo[4,5-b]pyridine;2-methyl-1-(3-methyldibenzofuran-4-yl)-3-(trideuteriomethyl)-2H-imidazo[4,5-b]pyridine;2-methyl-3-(3-methyldibenzofuran-4-yl)-1-(trideuteriomethyl)-2H-imidazo[4,5-b]pyridine
CID 162301887
bis(8-[3-(2-deuteriopropan-2-yl)-2-methyl-2H-benzimidazol-1-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine);bis(8-[1-(2-deuteriopropan-2-yl)-2-methyl-2H-imidazo[4,5-b]pyridin-3-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine);8-(1,2-dimethyl-2H-imidazo[4,5-b]pyridin-3-yl)-7-methyl-[1]benzofuro[2,3-b]pyridine
CID 162296359
7-methyl-8-[(2R)-2-methyl-3-(trideuteriomethyl)-2H-imidazo[4,5-b]pyridin-1-yl]-[1]benzofuro[2,3-b]pyridine
CID 140884140
bis(8-[3-(2-deuteriopropan-2-yl)-2-methyl-2H-benzimidazol-1-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine);8-[1-(2-deuteriopropan-2-yl)-2-methyl-2H-imidazo[4,5-b]pyridin-3-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-[2-methyl-3-(trideuteriomethyl)-2H-benzimidazol-1-yl]-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-[2-methyl-1-(trideuteriomethyl)-2H-imidazo[4,5-b]pyridin-3-yl]-[1]benzofuro[2,3-b]pyridine
CID 162301832
bis(1-(2-deuteriopropan-2-yl)-2-methyl-3-(3-methyldibenzofuran-4-yl)-2H-imidazo[4,5-b]pyridine);bis(3-(2-deuteriopropan-2-yl)-2-methyl-1-(3-methyldibenzofuran-4-yl)-2H-imidazo[4,5-b]pyridine);2,3-dimethyl-1-(3-methyldibenzofuran-4-yl)-2H-imidazo[4,5-b]pyridine
CID 162296576
8-[(2S)-1,2-dimethyl-2H-imidazo[4,5-b]pyrazin-3-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;8-[(2S)-1,2-dimethyl-2H-imidazo[4,5-b]pyridin-3-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;8-[(2R)-2,3-dimethyl-2H-imidazo[4,5-b]pyridin-1-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[(2S)-2-methyl-1-propan-2-yl-2H-imidazo[4,5-b]pyridin-3-yl]-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[(2R)-2-methyl-3-propan-2-yl-2H-imidazo[4,5-b]pyridin-1-yl]-[1]benzofuro[2,3-b]pyridine
CID 160682335
7-methyl-8-[(2S)-2-methyl-1-propan-2-yl-2H-imidazo[4,5-b]pyridin-3-yl]-[1]benzofuro[2,3-b]pyridine
CID 118074735

Frequently Asked Questions

What is the IUPAC name of 8-[1-(2-deuteriopropan-2-yl)-2-methyl-2H-imidazo[4,5-b]pyridin-3-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;8-[3-(2-deuteriopropan-2-yl)-2-methyl-2H-imidazo[4,5-b]pyridin-1-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[2-methyl-1-(1,1,1,2-tetradeuteriopropan-2-yl)-2H-imidazo[4,5-b]pyridin-3-yl]-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[2-methyl-1-(trideuteriomethyl)-2H-imidazo[4,5-b]pyridin-3-yl]-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[2-methyl-3-(trideuteriomethyl)-2H-imidazo[4,5-b]pyridin-1-yl]-[1]benzofuro[2,3-b]pyridine?
The IUPAC name of 8-[1-(2-deuteriopropan-2-yl)-2-methyl-2H-imidazo[4,5-b]pyridin-3-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;8-[3-(2-deuteriopropan-2-yl)-2-methyl-2H-imidazo[4,5-b]pyridin-1-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[2-methyl-1-(1,1,1,2-tetradeuteriopropan-2-yl)-2H-imidazo[4,5-b]pyridin-3-yl]-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[2-methyl-1-(trideuteriomethyl)-2H-imidazo[4,5-b]pyridin-3-yl]-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[2-methyl-3-(trideuteriomethyl)-2H-imidazo[4,5-b]pyridin-1-yl]-[1]benzofuro[2,3-b]pyridine (CID 162301934) is 8-[1-(2-deuteriopropan-2-yl)-2-methyl-2H-imidazo[4,5-b]pyridin-3-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;8-[3-(2-deuteriopropan-2-yl)-2-methyl-2H-imidazo[4,5-b]pyridin-1-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[2-methyl-1-(1,1,1,2-tetradeuteriopropan-2-yl)-2H-imidazo[4,5-b]pyridin-3-yl]-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[2-methyl-1-(trideuteriomethyl)-2H-imidazo[4,5-b]pyridin-3-yl]-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[2-methyl-3-(trideuteriomethyl)-2H-imidazo[4,5-b]pyridin-1-yl]-[1]benzofuro[2,3-b]pyridine.
What is the SMILES notation for 8-[1-(2-deuteriopropan-2-yl)-2-methyl-2H-imidazo[4,5-b]pyridin-3-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;8-[3-(2-deuteriopropan-2-yl)-2-methyl-2H-imidazo[4,5-b]pyridin-1-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[2-methyl-1-(1,1,1,2-tetradeuteriopropan-2-yl)-2H-imidazo[4,5-b]pyridin-3-yl]-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[2-methyl-1-(trideuteriomethyl)-2H-imidazo[4,5-b]pyridin-3-yl]-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[2-methyl-3-(trideuteriomethyl)-2H-imidazo[4,5-b]pyridin-1-yl]-[1]benzofuro[2,3-b]pyridine?
The canonical SMILES for 8-[1-(2-deuteriopropan-2-yl)-2-methyl-2H-imidazo[4,5-b]pyridin-3-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;8-[3-(2-deuteriopropan-2-yl)-2-methyl-2H-imidazo[4,5-b]pyridin-1-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[2-methyl-1-(1,1,1,2-tetradeuteriopropan-2-yl)-2H-imidazo[4,5-b]pyridin-3-yl]-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[2-methyl-1-(trideuteriomethyl)-2H-imidazo[4,5-b]pyridin-3-yl]-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[2-methyl-3-(trideuteriomethyl)-2H-imidazo[4,5-b]pyridin-1-yl]-[1]benzofuro[2,3-b]pyridine is [2H]C(C)(C)N1c2cccnc2N(c2c(C)ccc3c2oc2ncccc23)C1C.[2H]C(C)(C)N1c2ncccc2N(c2c(C)ccc3c2oc2ncccc23)C1C.[2H]C([2H])([2H])C([2H])(C)N1c2cccnc2N(c2c(C)ccc3c2oc2ncccc23)C1C.[2H]C([2H])([2H])N1c2cccnc2N(c2c(C)ccc3c2oc2ncccc23)C1C.[2H]C([2H])([2H])N1c2ncccc2N(c2c(C)ccc3c2oc2ncccc23)C1C.
What is the InChIKey of 8-[1-(2-deuteriopropan-2-yl)-2-methyl-2H-imidazo[4,5-b]pyridin-3-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;8-[3-(2-deuteriopropan-2-yl)-2-methyl-2H-imidazo[4,5-b]pyridin-1-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[2-methyl-1-(1,1,1,2-tetradeuteriopropan-2-yl)-2H-imidazo[4,5-b]pyridin-3-yl]-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[2-methyl-1-(trideuteriomethyl)-2H-imidazo[4,5-b]pyridin-3-yl]-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[2-methyl-3-(trideuteriomethyl)-2H-imidazo[4,5-b]pyridin-1-yl]-[1]benzofuro[2,3-b]pyridine?
The InChIKey is TWAQQFWCJHHVLO-JXXSGNOKSA-N. The full InChI is InChI=1S/3C22H22N4O.2C20H18N4O/c1-13(2)25-15(4)26(18-8-6-11-23-21(18)25)19-14(3)9-10-16-17-7-5-12-24-22(17)27-20(16)19;2*1-13(2)25-15(4)26(21-18(25)8-6-11-23-21)19-14(3)9-10-16-17-7-5-12-24-22(17)27-20(16)19;1-12-8-9-14-15-6-4-11-22-20(15)25-18(14)17(12)24-13(2)23(3)19-16(24)7-5-10-21-19;1-12-8-9-14-15-6-4-11-22-20(15)25-18(14)17(12)24-13(2)23(3)16-7-5-10-21-19(16)24/h3*5-13,15H,1-4H3;2*4-11,13H,1-3H3/i13D;1D3,13D;13D;2*3D3.
What are the key properties of 8-[1-(2-deuteriopropan-2-yl)-2-methyl-2H-imidazo[4,5-b]pyridin-3-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;8-[3-(2-deuteriopropan-2-yl)-2-methyl-2H-imidazo[4,5-b]pyridin-1-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[2-methyl-1-(1,1,1,2-tetradeuteriopropan-2-yl)-2H-imidazo[4,5-b]pyridin-3-yl]-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[2-methyl-1-(trideuteriomethyl)-2H-imidazo[4,5-b]pyridin-3-yl]-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[2-methyl-3-(trideuteriomethyl)-2H-imidazo[4,5-b]pyridin-1-yl]-[1]benzofuro[2,3-b]pyridine?
8-[1-(2-deuteriopropan-2-yl)-2-methyl-2H-imidazo[4,5-b]pyridin-3-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;8-[3-(2-deuteriopropan-2-yl)-2-methyl-2H-imidazo[4,5-b]pyridin-1-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[2-methyl-1-(1,1,1,2-tetradeuteriopropan-2-yl)-2H-imidazo[4,5-b]pyridin-3-yl]-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[2-methyl-1-(trideuteriomethyl)-2H-imidazo[4,5-b]pyridin-3-yl]-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[2-methyl-3-(trideuteriomethyl)-2H-imidazo[4,5-b]pyridin-1-yl]-[1]benzofuro[2,3-b]pyridine has a molecular weight of 1748.19 g/mol, XLogP of 25.43, 11 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[1-(2-deuteriopropan-2-yl)-2-methyl-2H-imidazo[4,5-b]pyridin-3-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;8-[3-(2-deuteriopropan-2-yl)-2-methyl-2H-imidazo[4,5-b]pyridin-1-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[2-methyl-1-(1,1,1,2-tetradeuteriopropan-2-yl)-2H-imidazo[4,5-b]pyridin-3-yl]-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[2-methyl-1-(trideuteriomethyl)-2H-imidazo[4,5-b]pyridin-3-yl]-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[2-methyl-3-(trideuteriomethyl)-2H-imidazo[4,5-b]pyridin-1-yl]-[1]benzofuro[2,3-b]pyridine is sourced from PubChem (CID 162301934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).