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

C113H111N15O5 — CID 162296576

IUPACbis(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
SMILESCc1ccc2c(oc3ccccc32)c1N1c2cccnc2N(C)C1C.[2H]C(C)(C)N1c2cccnc2N(c2c(C)ccc3c2oc2ccccc23)C1C.[2H]C(C)(C)N1c2cccnc2N(c2c(C)ccc3c2oc2ccccc23)C1C.[2H]C(C)(C)N1c2ncccc2N(c2c(C)ccc3c2oc2ccccc23)C1C.[2H]C(C)(C)N1c2ncccc2N(c2c(C)ccc3c2oc2ccccc23)C1C
InChIInChI=1S/4C23H23N3O.C21H19N3O/c2*1-14(2)25-16(4)26(19-9-7-13-24-23(19)25)21-15(3)11-12-18-17-8-5-6-10-20(17)27-22(18)21;2*1-14(2)25-16(4)26(23-19(25)9-7-13-24-23)21-15(3)11-12-18-17-8-5-6-10-20(17)27-22(18)21;1-13-10-11-16-15-7-4-5-9-18(15)25-20(16)19(13)24-14(2)23(3)21-17(24)8-6-12-22-21/h4*5-14,16H,1-4H3;4-12,14H,1-3H3/i4*14D;
InChIKeyMHWOTBJLWILTRA-MOCPOOFRSA-N
MW1763.26 g/mol
LogP29.23
Rot. Bonds9

About 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

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 (PubChem CID 162296576) has the molecular formula C113H111N15O5 and a molecular weight of 1763.26 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Namebis(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
PubChem CID162296576
Molecular FormulaC113H111N15O5
Molecular Weight1763.26 g/mol
Exact Mass1761.91
IUPAC Namebis(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
SMILESCc1ccc2c(oc3ccccc32)c1N1c2cccnc2N(C)C1C.[2H]C(C)(C)N1c2cccnc2N(c2c(C)ccc3c2oc2ccccc23)C1C.[2H]C(C)(C)N1c2cccnc2N(c2c(C)ccc3c2oc2ccccc23)C1C.[2H]C(C)(C)N1c2ncccc2N(c2c(C)ccc3c2oc2ccccc23)C1C.[2H]C(C)(C)N1c2ncccc2N(c2c(C)ccc3c2oc2ccccc23)C1C
InChIInChI=1S/4C23H23N3O.C21H19N3O/c2*1-14(2)25-16(4)26(19-9-7-13-24-23(19)25)21-15(3)11-12-18-17-8-5-6-10-20(17)27-22(18)21;2*1-14(2)25-16(4)26(23-19(25)9-7-13-24-23)21-15(3)11-12-18-17-8-5-6-10-20(17)27-22(18)21;1-13-10-11-16-15-7-4-5-9-18(15)25-20(16)19(13)24-14(2)23(3)21-17(24)8-6-12-22-21/h4*5-14,16H,1-4H3;4-12,14H,1-3H3/i4*14D;
InChIKeyMHWOTBJLWILTRA-MOCPOOFRSA-N
XLogP29.23
TPSA162.55 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds9
Heavy Atoms133
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001763.26
LogP ≤ 529.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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 162296577
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
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-[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
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
methane;2-methyl-1-(3-methyldibenzofuran-4-yl)-3-phenyl-2H-imidazo[4,5-b]pyridine;2-methyl-3-(3-methyldibenzofuran-4-yl)-1-phenyl-2H-imidazo[4,5-b]pyridine;bis(2-methyl-1-(3-methyldibenzofuran-4-yl)-3-propan-2-yl-2H-imidazo[4,5-b]pyrazine);2-methyl-3-(3-methyldibenzofuran-4-yl)-1-propan-2-yl-2H-imidazo[4,5-b]pyridine
CID 162269247
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
8-[(2R)-3-(2-deuteriopropan-2-yl)-2-methyl-2H-imidazo[4,5-b]pyridin-1-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine
CID 158578666
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
3-(2-deuteriopropan-2-yl)-2-methyl-1-(3-methyldibenzofuran-4-yl)-2H-imidazo[4,5-b]pyrazine;8-(2,3-dimethyl-2H-benzimidazol-1-yl)-7-methyl-[1]benzofuro[2,3-b]pyridine;8-(1,2-dimethyl-2H-imidazo[4,5-b]pyrazin-3-yl)-7-methyl-[1]benzofuro[2,3-b]pyridine;7-methyl-8-(2-methyl-3-propan-2-yl-2H-benzimidazol-1-yl)-[1]benzofuro[2,3-b]pyridine;7-methyl-8-(2-methyl-3-propan-2-yl-2H-imidazol-1-yl)-[1]benzofuro[2,3-b]pyridine
CID 162296515
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ccc2c(oc3ccccc32)c1N1c2cccnc2N(C)C1C.[2H]C(C)(C)N1c2cccnc2N(c2c(C)ccc3c2oc2ccccc23)C1C.[2H]C(C)(C)N1c2cccnc2N(c2c(C)ccc3c2oc2ccccc23)C1C.[2H]C(C)(C)N1c2ncccc2N(c2c(C)ccc3c2oc2ccccc23)C1C.[2H]C(C)(C)N1c2ncccc2N(c2c(C)ccc3c2oc2ccccc23)C1C.
What is the InChIKey of 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?
The InChIKey is MHWOTBJLWILTRA-MOCPOOFRSA-N. The full InChI is InChI=1S/4C23H23N3O.C21H19N3O/c2*1-14(2)25-16(4)26(19-9-7-13-24-23(19)25)21-15(3)11-12-18-17-8-5-6-10-20(17)27-22(18)21;2*1-14(2)25-16(4)26(23-19(25)9-7-13-24-23)21-15(3)11-12-18-17-8-5-6-10-20(17)27-22(18)21;1-13-10-11-16-15-7-4-5-9-18(15)25-20(16)19(13)24-14(2)23(3)21-17(24)8-6-12-22-21/h4*5-14,16H,1-4H3;4-12,14H,1-3H3/i4*14D;.
What are the key properties of 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?
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 has a molecular weight of 1763.26 g/mol, XLogP of 29.23, 9 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 162296576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).