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

C67H65N9O3 — CID 162296577

IUPACbis(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)N1c2ncccc2N(c2c(C)ccc3c2oc2ccccc23)C1C.[2H]C(C)(C)N1c2ncccc2N(c2c(C)ccc3c2oc2ccccc23)C1C
InChIInChI=1S/2C23H23N3O.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;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/h2*5-14,16H,1-4H3;4-12,14H,1-3H3/i2*14D;
InChIKeyQPBGUGZXEFHJNM-ILHZPMNBSA-N
MW1046.33 g/mol
LogP17.23
Rot. Bonds5

About 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(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 162296577) has the molecular formula C67H65N9O3 and a molecular weight of 1046.33 g/mol. Its IUPAC name is 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(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 CID162296577
Molecular FormulaC67H65N9O3
Molecular Weight1046.33 g/mol
Exact Mass1045.53
IUPAC Namebis(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)N1c2ncccc2N(c2c(C)ccc3c2oc2ccccc23)C1C.[2H]C(C)(C)N1c2ncccc2N(c2c(C)ccc3c2oc2ccccc23)C1C
InChIInChI=1S/2C23H23N3O.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;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/h2*5-14,16H,1-4H3;4-12,14H,1-3H3/i2*14D;
InChIKeyQPBGUGZXEFHJNM-ILHZPMNBSA-N
XLogP17.23
TPSA97.53 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds5
Heavy Atoms79
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001046.33
LogP ≤ 517.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 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

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Related Compounds

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
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
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
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
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
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-[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-[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-[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
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-(2,3-dimethyl-2H-imidazol-1-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 162296342
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

Frequently Asked Questions

What is the IUPAC name of 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(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) is 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(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(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)N1c2ncccc2N(c2c(C)ccc3c2oc2ccccc23)C1C.[2H]C(C)(C)N1c2ncccc2N(c2c(C)ccc3c2oc2ccccc23)C1C.
What is the InChIKey of 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 QPBGUGZXEFHJNM-ILHZPMNBSA-N. The full InChI is InChI=1S/2C23H23N3O.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;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/h2*5-14,16H,1-4H3;4-12,14H,1-3H3/i2*14D;.
What are the key properties of 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(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 1046.33 g/mol, XLogP of 17.23, 5 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 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 162296577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).