6-tert-butyl-5,7-dideuterio-1H-imidazo[4,5-b]pyridine;5-tert-butyl-4,6-dideuterio-2-methylidene-1,3-dihydropyrrolo[2,3-b]pyridine;6-tert-butyl-5,7-dideuterio-2-methyl-1H-imidazo[4,5-b]pyridine;6-tert-butyl-5,7-dideuterio-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidine;7-tert-butyl-5,6-dideuterio-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidine;3-tert-butyl-2,4,5,6,7,8-hexadeuterioquinoline;6-tert-butyl-3,5,7-trideuterioimidazo[1,2-a]pyrimidine;6-tert-butyl-3,5,7-trideuterio-2-methylimidazo[1,2-a]pyrimidine;6-tert-butyl-3,5,7-trideuterio-2-methylpyrazolo[1,5-a]pyrimidine;5-tert-butyl-3,4,6-trideuterio-2-methyl-1H-pyrrolo[2,3-b]pyridine;6-tert-butyl-3,5,7-trideuterio-2-methylthieno[3,2-b]pyridine;6-tert-butyl-3,5,7-trideuteriopyrazolo[1,5-a]pyrimidine;5-tert-butyl-3,4,6-trideuterio-1H-pyrazolo[3,4-b]pyridine

C142H187N35S — CID 158392369

IUPAC6-tert-butyl-5,7-dideuterio-1H-imidazo[4,5-b]pyridine;5-tert-butyl-4,6-dideuterio-2-methylidene-1,3-dihydropyrrolo[2,3-b]pyridine;6-tert-butyl-5,7-dideuterio-2-methyl-1H-imidazo[4,5-b]pyridine;6-tert-butyl-5,7-dideuterio-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidine;7-tert-butyl-5,6-dideuterio-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidine;3-tert-butyl-2,4,5,6,7,8-hexadeuterioquinoline;6-tert-butyl-3,5,7-trideuterioimidazo[1,2-a]pyrimidine;6-tert-butyl-3,5,7-trideuterio-2-methylimidazo[1,2-a]pyrimidine;6-tert-butyl-3,5,7-trideuterio-2-methylpyrazolo[1,5-a]pyrimidine;5-tert-butyl-3,4,6-trideuterio-2-methyl-1H-pyrrolo[2,3-b]pyridine;6-tert-butyl-3,5,7-trideuterio-2-methylthieno[3,2-b]pyridine;6-tert-butyl-3,5,7-trideuteriopyrazolo[1,5-a]pyrimidine;5-tert-butyl-3,4,6-trideuterio-1H-pyrazolo[3,4-b]pyridine
SMILES[2H]c1nc2[nH]c(C)c([2H])c2c([2H])c1C(C)(C)C.[2H]c1nc2[nH]nc([2H])c2c([2H])c1C(C)(C)C.[2H]c1nc2c([2H])c(C)nn2c([2H])c1C(C)(C)C.[2H]c1nc2c([2H])c(C)sc2c([2H])c1C(C)(C)C.[2H]c1nc2c([2H])c([2H])c([2H])c([2H])c2c([2H])c1C(C)(C)C.[2H]c1nc2c([2H])cnn2c([2H])c1C(C)(C)C.[2H]c1nc2c(c([2H])c1C(C)(C)C)CC(=C)N2.[2H]c1nc2nc(C)[nH]c2c([2H])c1C(C)(C)C.[2H]c1nc2nc(C)c([2H])n2c([2H])c1C(C)(C)C.[2H]c1nc2nc(C)nn2c(C(C)(C)C)c1[2H].[2H]c1nc2nc(C)nn2c([2H])c1C(C)(C)C.[2H]c1nc2nc[nH]c2c([2H])c1C(C)(C)C.[2H]c1nc2ncc([2H])n2c([2H])c1C(C)(C)C
InChIInChI=1S/C13H15N.2C12H16N2.C12H15NS.3C11H15N3.2C10H14N4.4C10H13N3/c1-13(2,3)11-8-10-6-4-5-7-12(10)14-9-11;2*1-8-5-9-6-10(12(2,3)4)7-13-11(9)14-8;1-8-5-10-11(14-8)6-9(7-13-10)12(2,3)4;1-8-6-14-7-9(11(2,3)4)5-12-10(14)13-8;1-8-5-10-12-6-9(11(2,3)4)7-14(10)13-8;1-7-13-9-5-8(11(2,3)4)6-12-10(9)14-7;1-7-12-9-11-5-8(10(2,3)4)6-14(9)13-7;1-7-12-9-11-6-5-8(10(2,3)4)14(9)13-7;1-10(2,3)7-4-8-9(11-5-7)13-6-12-8;1-10(2,3)8-4-7-5-12-13-9(7)11-6-8;1-10(2,3)8-6-12-9-11-4-5-13(9)7-8;1-10(2,3)8-6-11-9-4-5-12-13(9)7-8/h4-9H,1-3H3;5-7H,1-4H3,(H,13,14);6-7H,1,5H2,2-4H3,(H,13,14);3*5-7H,1-4H3;5-6H,1-4H3,(H,12,13,14);2*5-6H,1-4H3;2*4-6H,1-3H3,(H,11,12,13);2*4-7H,1-3H3/i4D,5D,6D,7D,8D,9D;5D,6D,7D;6D,7D;3*5D,6D,7D;3*5D,6D;4D,5D;4D,5D,6D;5D,6D,7D;4D,6D,7D
InChIKeyGXCUIXWWPFGYJQ-FJCIMCMYSA-N
MW2453.60 g/mol
LogP32.72
Rot. Bonds

About 6-tert-butyl-5,7-dideuterio-1H-imidazo[4,5-b]pyridine;5-tert-butyl-4,6-dideuterio-2-methylidene-1,3-dihydropyrrolo[2,3-b]pyridine;6-tert-butyl-5,7-dideuterio-2-methyl-1H-imidazo[4,5-b]pyridine;6-tert-butyl-5,7-dideuterio-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidine;7-tert-butyl-5,6-dideuterio-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidine;3-tert-butyl-2,4,5,6,7,8-hexadeuterioquinoline;6-tert-butyl-3,5,7-trideuterioimidazo[1,2-a]pyrimidine;6-tert-butyl-3,5,7-trideuterio-2-methylimidazo[1,2-a]pyrimidine;6-tert-butyl-3,5,7-trideuterio-2-methylpyrazolo[1,5-a]pyrimidine;5-tert-butyl-3,4,6-trideuterio-2-methyl-1H-pyrrolo[2,3-b]pyridine;6-tert-butyl-3,5,7-trideuterio-2-methylthieno[3,2-b]pyridine;6-tert-butyl-3,5,7-trideuteriopyrazolo[1,5-a]pyrimidine;5-tert-butyl-3,4,6-trideuterio-1H-pyrazolo[3,4-b]pyridine

6-tert-butyl-5,7-dideuterio-1H-imidazo[4,5-b]pyridine;5-tert-butyl-4,6-dideuterio-2-methylidene-1,3-dihydropyrrolo[2,3-b]pyridine;6-tert-butyl-5,7-dideuterio-2-methyl-1H-imidazo[4,5-b]pyridine;6-tert-butyl-5,7-dideuterio-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidine;7-tert-butyl-5,6-dideuterio-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidine;3-tert-butyl-2,4,5,6,7,8-hexadeuterioquinoline;6-tert-butyl-3,5,7-trideuterioimidazo[1,2-a]pyrimidine;6-tert-butyl-3,5,7-trideuterio-2-methylimidazo[1,2-a]pyrimidine;6-tert-butyl-3,5,7-trideuterio-2-methylpyrazolo[1,5-a]pyrimidine;5-tert-butyl-3,4,6-trideuterio-2-methyl-1H-pyrrolo[2,3-b]pyridine;6-tert-butyl-3,5,7-trideuterio-2-methylthieno[3,2-b]pyridine;6-tert-butyl-3,5,7-trideuteriopyrazolo[1,5-a]pyrimidine;5-tert-butyl-3,4,6-trideuterio-1H-pyrazolo[3,4-b]pyridine (PubChem CID 158392369) has the molecular formula C142H187N35S and a molecular weight of 2453.60 g/mol. Its IUPAC name is 6-tert-butyl-5,7-dideuterio-1H-imidazo[4,5-b]pyridine;5-tert-butyl-4,6-dideuterio-2-methylidene-1,3-dihydropyrrolo[2,3-b]pyridine;6-tert-butyl-5,7-dideuterio-2-methyl-1H-imidazo[4,5-b]pyridine;6-tert-butyl-5,7-dideuterio-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidine;7-tert-butyl-5,6-dideuterio-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidine;3-tert-butyl-2,4,5,6,7,8-hexadeuterioquinoline;6-tert-butyl-3,5,7-trideuterioimidazo[1,2-a]pyrimidine;6-tert-butyl-3,5,7-trideuterio-2-methylimidazo[1,2-a]pyrimidine;6-tert-butyl-3,5,7-trideuterio-2-methylpyrazolo[1,5-a]pyrimidine;5-tert-butyl-3,4,6-trideuterio-2-methyl-1H-pyrrolo[2,3-b]pyridine;6-tert-butyl-3,5,7-trideuterio-2-methylthieno[3,2-b]pyridine;6-tert-butyl-3,5,7-trideuteriopyrazolo[1,5-a]pyrimidine;5-tert-butyl-3,4,6-trideuterio-1H-pyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name6-tert-butyl-5,7-dideuterio-1H-imidazo[4,5-b]pyridine;5-tert-butyl-4,6-dideuterio-2-methylidene-1,3-dihydropyrrolo[2,3-b]pyridine;6-tert-butyl-5,7-dideuterio-2-methyl-1H-imidazo[4,5-b]pyridine;6-tert-butyl-5,7-dideuterio-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidine;7-tert-butyl-5,6-dideuterio-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidine;3-tert-butyl-2,4,5,6,7,8-hexadeuterioquinoline;6-tert-butyl-3,5,7-trideuterioimidazo[1,2-a]pyrimidine;6-tert-butyl-3,5,7-trideuterio-2-methylimidazo[1,2-a]pyrimidine;6-tert-butyl-3,5,7-trideuterio-2-methylpyrazolo[1,5-a]pyrimidine;5-tert-butyl-3,4,6-trideuterio-2-methyl-1H-pyrrolo[2,3-b]pyridine;6-tert-butyl-3,5,7-trideuterio-2-methylthieno[3,2-b]pyridine;6-tert-butyl-3,5,7-trideuteriopyrazolo[1,5-a]pyrimidine;5-tert-butyl-3,4,6-trideuterio-1H-pyrazolo[3,4-b]pyridine
PubChem CID158392369
Molecular FormulaC142H187N35S
Molecular Weight2453.60 g/mol
Exact Mass2451.78
IUPAC Name6-tert-butyl-5,7-dideuterio-1H-imidazo[4,5-b]pyridine;5-tert-butyl-4,6-dideuterio-2-methylidene-1,3-dihydropyrrolo[2,3-b]pyridine;6-tert-butyl-5,7-dideuterio-2-methyl-1H-imidazo[4,5-b]pyridine;6-tert-butyl-5,7-dideuterio-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidine;7-tert-butyl-5,6-dideuterio-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidine;3-tert-butyl-2,4,5,6,7,8-hexadeuterioquinoline;6-tert-butyl-3,5,7-trideuterioimidazo[1,2-a]pyrimidine;6-tert-butyl-3,5,7-trideuterio-2-methylimidazo[1,2-a]pyrimidine;6-tert-butyl-3,5,7-trideuterio-2-methylpyrazolo[1,5-a]pyrimidine;5-tert-butyl-3,4,6-trideuterio-2-methyl-1H-pyrrolo[2,3-b]pyridine;6-tert-butyl-3,5,7-trideuterio-2-methylthieno[3,2-b]pyridine;6-tert-butyl-3,5,7-trideuteriopyrazolo[1,5-a]pyrimidine;5-tert-butyl-3,4,6-trideuterio-1H-pyrazolo[3,4-b]pyridine
SMILES[2H]c1nc2[nH]c(C)c([2H])c2c([2H])c1C(C)(C)C.[2H]c1nc2[nH]nc([2H])c2c([2H])c1C(C)(C)C.[2H]c1nc2c([2H])c(C)nn2c([2H])c1C(C)(C)C.[2H]c1nc2c([2H])c(C)sc2c([2H])c1C(C)(C)C.[2H]c1nc2c([2H])c([2H])c([2H])c([2H])c2c([2H])c1C(C)(C)C.[2H]c1nc2c([2H])cnn2c([2H])c1C(C)(C)C.[2H]c1nc2c(c([2H])c1C(C)(C)C)CC(=C)N2.[2H]c1nc2nc(C)[nH]c2c([2H])c1C(C)(C)C.[2H]c1nc2nc(C)c([2H])n2c([2H])c1C(C)(C)C.[2H]c1nc2nc(C)nn2c(C(C)(C)C)c1[2H].[2H]c1nc2nc(C)nn2c([2H])c1C(C)(C)C.[2H]c1nc2nc[nH]c2c([2H])c1C(C)(C)C.[2H]c1nc2ncc([2H])n2c([2H])c1C(C)(C)C
InChIInChI=1S/C13H15N.2C12H16N2.C12H15NS.3C11H15N3.2C10H14N4.4C10H13N3/c1-13(2,3)11-8-10-6-4-5-7-12(10)14-9-11;2*1-8-5-9-6-10(12(2,3)4)7-13-11(9)14-8;1-8-5-10-11(14-8)6-9(7-13-10)12(2,3)4;1-8-6-14-7-9(11(2,3)4)5-12-10(14)13-8;1-8-5-10-12-6-9(11(2,3)4)7-14(10)13-8;1-7-13-9-5-8(11(2,3)4)6-12-10(9)14-7;1-7-12-9-11-5-8(10(2,3)4)6-14(9)13-7;1-7-12-9-11-6-5-8(10(2,3)4)14(9)13-7;1-10(2,3)7-4-8-9(11-5-7)13-6-12-8;1-10(2,3)8-4-7-5-12-13-9(7)11-6-8;1-10(2,3)8-6-12-9-11-4-5-13(9)7-8;1-10(2,3)8-6-11-9-4-5-12-13(9)7-8/h4-9H,1-3H3;5-7H,1-4H3,(H,13,14);6-7H,1,5H2,2-4H3,(H,13,14);3*5-7H,1-4H3;5-6H,1-4H3,(H,12,13,14);2*5-6H,1-4H3;2*4-6H,1-3H3,(H,11,12,13);2*4-7H,1-3H3/i4D,5D,6D,7D,8D,9D;5D,6D,7D;6D,7D;3*5D,6D,7D;3*5D,6D;4D,5D;4D,5D,6D;5D,6D,7D;4D,6D,7D
InChIKeyGXCUIXWWPFGYJQ-FJCIMCMYSA-N
XLogP32.72
TPSA411.01 Ų
H-Bond Donors5
H-Bond Acceptors32
Rotatable Bonds
Heavy Atoms178
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002453.60
LogP ≤ 532.72
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1032

Analyze 6-tert-butyl-5,7-dideuterio-1H-imidazo[4,5-b]pyridine;5-tert-butyl-4,6-dideuterio-2-methylidene-1,3-dihydropyrrolo[2,3-b]pyridine;6-tert-butyl-5,7-dideuterio-2-methyl-1H-imidazo[4,5-b]pyridine;6-tert-butyl-5,7-dideuterio-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidine;7-tert-butyl-5,6-dideuterio-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidine;3-tert-butyl-2,4,5,6,7,8-hexadeuterioquinoline;6-tert-butyl-3,5,7-trideuterioimidazo[1,2-a]pyrimidine;6-tert-butyl-3,5,7-trideuterio-2-methylimidazo[1,2-a]pyrimidine;6-tert-butyl-3,5,7-trideuterio-2-methylpyrazolo[1,5-a]pyrimidine;5-tert-butyl-3,4,6-trideuterio-2-methyl-1H-pyrrolo[2,3-b]pyridine;6-tert-butyl-3,5,7-trideuterio-2-methylthieno[3,2-b]pyridine;6-tert-butyl-3,5,7-trideuteriopyrazolo[1,5-a]pyrimidine;5-tert-butyl-3,4,6-trideuterio-1H-pyrazolo[3,4-b]pyridine with MolForge

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Launch Full Analysis

Related Compounds

N,N-dimethyl-1-[5-[3-(7-thiophen-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methanamine
CID 136214328
N,N-dimethyl-5-[3-(7-thiophen-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine
CID 136495719
N,N-dimethyl-1-[5-[3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methanamine
CID 136213907
1-cyclopentyl-N-[[5-[3-(7-thiophen-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]methanamine
CID 136214330
N,N-dimethyl-1-[5-[3-(4-thiophen-3-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methanamine
CID 136214370
N,N-dimethyl-5-[3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine
CID 136213906
2-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-thiophen-3-yl-3H-imidazo[4,5-c]pyridine
CID 136213908
5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-3-(4-thiophen-3-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridine
CID 136214371
5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-3-(4-thiophen-2-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridine
CID 136214376
US20240109900, Example 459
CID 171410098
2-[4-[2-[[3-[7-[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]-4-ethyl-1-methyl-4H-[1,2,4]triazolo[4,3-f]pteridin-5-yl]pyrazol-1-yl]methyl]-4-ethyl-5-(1-methylpyrazol-3-yl)-4H-[1,2,4]triazolo[4,3-f]pteridin-10-ium-7-yl]-1-methylpyrazol-3-yl]-1,3-thiazole
CID 123481644
2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]pyridin-3-yl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-thiophen-3-yl-3H-imidazo[4,5-c]pyridine
CID 136495667

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-5,7-dideuterio-1H-imidazo[4,5-b]pyridine;5-tert-butyl-4,6-dideuterio-2-methylidene-1,3-dihydropyrrolo[2,3-b]pyridine;6-tert-butyl-5,7-dideuterio-2-methyl-1H-imidazo[4,5-b]pyridine;6-tert-butyl-5,7-dideuterio-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidine;7-tert-butyl-5,6-dideuterio-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidine;3-tert-butyl-2,4,5,6,7,8-hexadeuterioquinoline;6-tert-butyl-3,5,7-trideuterioimidazo[1,2-a]pyrimidine;6-tert-butyl-3,5,7-trideuterio-2-methylimidazo[1,2-a]pyrimidine;6-tert-butyl-3,5,7-trideuterio-2-methylpyrazolo[1,5-a]pyrimidine;5-tert-butyl-3,4,6-trideuterio-2-methyl-1H-pyrrolo[2,3-b]pyridine;6-tert-butyl-3,5,7-trideuterio-2-methylthieno[3,2-b]pyridine;6-tert-butyl-3,5,7-trideuteriopyrazolo[1,5-a]pyrimidine;5-tert-butyl-3,4,6-trideuterio-1H-pyrazolo[3,4-b]pyridine?
The IUPAC name of 6-tert-butyl-5,7-dideuterio-1H-imidazo[4,5-b]pyridine;5-tert-butyl-4,6-dideuterio-2-methylidene-1,3-dihydropyrrolo[2,3-b]pyridine;6-tert-butyl-5,7-dideuterio-2-methyl-1H-imidazo[4,5-b]pyridine;6-tert-butyl-5,7-dideuterio-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidine;7-tert-butyl-5,6-dideuterio-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidine;3-tert-butyl-2,4,5,6,7,8-hexadeuterioquinoline;6-tert-butyl-3,5,7-trideuterioimidazo[1,2-a]pyrimidine;6-tert-butyl-3,5,7-trideuterio-2-methylimidazo[1,2-a]pyrimidine;6-tert-butyl-3,5,7-trideuterio-2-methylpyrazolo[1,5-a]pyrimidine;5-tert-butyl-3,4,6-trideuterio-2-methyl-1H-pyrrolo[2,3-b]pyridine;6-tert-butyl-3,5,7-trideuterio-2-methylthieno[3,2-b]pyridine;6-tert-butyl-3,5,7-trideuteriopyrazolo[1,5-a]pyrimidine;5-tert-butyl-3,4,6-trideuterio-1H-pyrazolo[3,4-b]pyridine (CID 158392369) is 6-tert-butyl-5,7-dideuterio-1H-imidazo[4,5-b]pyridine;5-tert-butyl-4,6-dideuterio-2-methylidene-1,3-dihydropyrrolo[2,3-b]pyridine;6-tert-butyl-5,7-dideuterio-2-methyl-1H-imidazo[4,5-b]pyridine;6-tert-butyl-5,7-dideuterio-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidine;7-tert-butyl-5,6-dideuterio-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidine;3-tert-butyl-2,4,5,6,7,8-hexadeuterioquinoline;6-tert-butyl-3,5,7-trideuterioimidazo[1,2-a]pyrimidine;6-tert-butyl-3,5,7-trideuterio-2-methylimidazo[1,2-a]pyrimidine;6-tert-butyl-3,5,7-trideuterio-2-methylpyrazolo[1,5-a]pyrimidine;5-tert-butyl-3,4,6-trideuterio-2-methyl-1H-pyrrolo[2,3-b]pyridine;6-tert-butyl-3,5,7-trideuterio-2-methylthieno[3,2-b]pyridine;6-tert-butyl-3,5,7-trideuteriopyrazolo[1,5-a]pyrimidine;5-tert-butyl-3,4,6-trideuterio-1H-pyrazolo[3,4-b]pyridine.
What is the SMILES notation for 6-tert-butyl-5,7-dideuterio-1H-imidazo[4,5-b]pyridine;5-tert-butyl-4,6-dideuterio-2-methylidene-1,3-dihydropyrrolo[2,3-b]pyridine;6-tert-butyl-5,7-dideuterio-2-methyl-1H-imidazo[4,5-b]pyridine;6-tert-butyl-5,7-dideuterio-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidine;7-tert-butyl-5,6-dideuterio-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidine;3-tert-butyl-2,4,5,6,7,8-hexadeuterioquinoline;6-tert-butyl-3,5,7-trideuterioimidazo[1,2-a]pyrimidine;6-tert-butyl-3,5,7-trideuterio-2-methylimidazo[1,2-a]pyrimidine;6-tert-butyl-3,5,7-trideuterio-2-methylpyrazolo[1,5-a]pyrimidine;5-tert-butyl-3,4,6-trideuterio-2-methyl-1H-pyrrolo[2,3-b]pyridine;6-tert-butyl-3,5,7-trideuterio-2-methylthieno[3,2-b]pyridine;6-tert-butyl-3,5,7-trideuteriopyrazolo[1,5-a]pyrimidine;5-tert-butyl-3,4,6-trideuterio-1H-pyrazolo[3,4-b]pyridine?
The canonical SMILES for 6-tert-butyl-5,7-dideuterio-1H-imidazo[4,5-b]pyridine;5-tert-butyl-4,6-dideuterio-2-methylidene-1,3-dihydropyrrolo[2,3-b]pyridine;6-tert-butyl-5,7-dideuterio-2-methyl-1H-imidazo[4,5-b]pyridine;6-tert-butyl-5,7-dideuterio-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidine;7-tert-butyl-5,6-dideuterio-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidine;3-tert-butyl-2,4,5,6,7,8-hexadeuterioquinoline;6-tert-butyl-3,5,7-trideuterioimidazo[1,2-a]pyrimidine;6-tert-butyl-3,5,7-trideuterio-2-methylimidazo[1,2-a]pyrimidine;6-tert-butyl-3,5,7-trideuterio-2-methylpyrazolo[1,5-a]pyrimidine;5-tert-butyl-3,4,6-trideuterio-2-methyl-1H-pyrrolo[2,3-b]pyridine;6-tert-butyl-3,5,7-trideuterio-2-methylthieno[3,2-b]pyridine;6-tert-butyl-3,5,7-trideuteriopyrazolo[1,5-a]pyrimidine;5-tert-butyl-3,4,6-trideuterio-1H-pyrazolo[3,4-b]pyridine is [2H]c1nc2[nH]c(C)c([2H])c2c([2H])c1C(C)(C)C.[2H]c1nc2[nH]nc([2H])c2c([2H])c1C(C)(C)C.[2H]c1nc2c([2H])c(C)nn2c([2H])c1C(C)(C)C.[2H]c1nc2c([2H])c(C)sc2c([2H])c1C(C)(C)C.[2H]c1nc2c([2H])c([2H])c([2H])c([2H])c2c([2H])c1C(C)(C)C.[2H]c1nc2c([2H])cnn2c([2H])c1C(C)(C)C.[2H]c1nc2c(c([2H])c1C(C)(C)C)CC(=C)N2.[2H]c1nc2nc(C)[nH]c2c([2H])c1C(C)(C)C.[2H]c1nc2nc(C)c([2H])n2c([2H])c1C(C)(C)C.[2H]c1nc2nc(C)nn2c(C(C)(C)C)c1[2H].[2H]c1nc2nc(C)nn2c([2H])c1C(C)(C)C.[2H]c1nc2nc[nH]c2c([2H])c1C(C)(C)C.[2H]c1nc2ncc([2H])n2c([2H])c1C(C)(C)C.
What is the InChIKey of 6-tert-butyl-5,7-dideuterio-1H-imidazo[4,5-b]pyridine;5-tert-butyl-4,6-dideuterio-2-methylidene-1,3-dihydropyrrolo[2,3-b]pyridine;6-tert-butyl-5,7-dideuterio-2-methyl-1H-imidazo[4,5-b]pyridine;6-tert-butyl-5,7-dideuterio-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidine;7-tert-butyl-5,6-dideuterio-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidine;3-tert-butyl-2,4,5,6,7,8-hexadeuterioquinoline;6-tert-butyl-3,5,7-trideuterioimidazo[1,2-a]pyrimidine;6-tert-butyl-3,5,7-trideuterio-2-methylimidazo[1,2-a]pyrimidine;6-tert-butyl-3,5,7-trideuterio-2-methylpyrazolo[1,5-a]pyrimidine;5-tert-butyl-3,4,6-trideuterio-2-methyl-1H-pyrrolo[2,3-b]pyridine;6-tert-butyl-3,5,7-trideuterio-2-methylthieno[3,2-b]pyridine;6-tert-butyl-3,5,7-trideuteriopyrazolo[1,5-a]pyrimidine;5-tert-butyl-3,4,6-trideuterio-1H-pyrazolo[3,4-b]pyridine?
The InChIKey is GXCUIXWWPFGYJQ-FJCIMCMYSA-N. The full InChI is InChI=1S/C13H15N.2C12H16N2.C12H15NS.3C11H15N3.2C10H14N4.4C10H13N3/c1-13(2,3)11-8-10-6-4-5-7-12(10)14-9-11;2*1-8-5-9-6-10(12(2,3)4)7-13-11(9)14-8;1-8-5-10-11(14-8)6-9(7-13-10)12(2,3)4;1-8-6-14-7-9(11(2,3)4)5-12-10(14)13-8;1-8-5-10-12-6-9(11(2,3)4)7-14(10)13-8;1-7-13-9-5-8(11(2,3)4)6-12-10(9)14-7;1-7-12-9-11-5-8(10(2,3)4)6-14(9)13-7;1-7-12-9-11-6-5-8(10(2,3)4)14(9)13-7;1-10(2,3)7-4-8-9(11-5-7)13-6-12-8;1-10(2,3)8-4-7-5-12-13-9(7)11-6-8;1-10(2,3)8-6-12-9-11-4-5-13(9)7-8;1-10(2,3)8-6-11-9-4-5-12-13(9)7-8/h4-9H,1-3H3;5-7H,1-4H3,(H,13,14);6-7H,1,5H2,2-4H3,(H,13,14);3*5-7H,1-4H3;5-6H,1-4H3,(H,12,13,14);2*5-6H,1-4H3;2*4-6H,1-3H3,(H,11,12,13);2*4-7H,1-3H3/i4D,5D,6D,7D,8D,9D;5D,6D,7D;6D,7D;3*5D,6D,7D;3*5D,6D;4D,5D;4D,5D,6D;5D,6D,7D;4D,6D,7D.
What are the key properties of 6-tert-butyl-5,7-dideuterio-1H-imidazo[4,5-b]pyridine;5-tert-butyl-4,6-dideuterio-2-methylidene-1,3-dihydropyrrolo[2,3-b]pyridine;6-tert-butyl-5,7-dideuterio-2-methyl-1H-imidazo[4,5-b]pyridine;6-tert-butyl-5,7-dideuterio-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidine;7-tert-butyl-5,6-dideuterio-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidine;3-tert-butyl-2,4,5,6,7,8-hexadeuterioquinoline;6-tert-butyl-3,5,7-trideuterioimidazo[1,2-a]pyrimidine;6-tert-butyl-3,5,7-trideuterio-2-methylimidazo[1,2-a]pyrimidine;6-tert-butyl-3,5,7-trideuterio-2-methylpyrazolo[1,5-a]pyrimidine;5-tert-butyl-3,4,6-trideuterio-2-methyl-1H-pyrrolo[2,3-b]pyridine;6-tert-butyl-3,5,7-trideuterio-2-methylthieno[3,2-b]pyridine;6-tert-butyl-3,5,7-trideuteriopyrazolo[1,5-a]pyrimidine;5-tert-butyl-3,4,6-trideuterio-1H-pyrazolo[3,4-b]pyridine?
6-tert-butyl-5,7-dideuterio-1H-imidazo[4,5-b]pyridine;5-tert-butyl-4,6-dideuterio-2-methylidene-1,3-dihydropyrrolo[2,3-b]pyridine;6-tert-butyl-5,7-dideuterio-2-methyl-1H-imidazo[4,5-b]pyridine;6-tert-butyl-5,7-dideuterio-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidine;7-tert-butyl-5,6-dideuterio-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidine;3-tert-butyl-2,4,5,6,7,8-hexadeuterioquinoline;6-tert-butyl-3,5,7-trideuterioimidazo[1,2-a]pyrimidine;6-tert-butyl-3,5,7-trideuterio-2-methylimidazo[1,2-a]pyrimidine;6-tert-butyl-3,5,7-trideuterio-2-methylpyrazolo[1,5-a]pyrimidine;5-tert-butyl-3,4,6-trideuterio-2-methyl-1H-pyrrolo[2,3-b]pyridine;6-tert-butyl-3,5,7-trideuterio-2-methylthieno[3,2-b]pyridine;6-tert-butyl-3,5,7-trideuteriopyrazolo[1,5-a]pyrimidine;5-tert-butyl-3,4,6-trideuterio-1H-pyrazolo[3,4-b]pyridine has a molecular weight of 2453.60 g/mol, XLogP of 32.72, 0 rotatable bonds, 5 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-5,7-dideuterio-1H-imidazo[4,5-b]pyridine;5-tert-butyl-4,6-dideuterio-2-methylidene-1,3-dihydropyrrolo[2,3-b]pyridine;6-tert-butyl-5,7-dideuterio-2-methyl-1H-imidazo[4,5-b]pyridine;6-tert-butyl-5,7-dideuterio-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidine;7-tert-butyl-5,6-dideuterio-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidine;3-tert-butyl-2,4,5,6,7,8-hexadeuterioquinoline;6-tert-butyl-3,5,7-trideuterioimidazo[1,2-a]pyrimidine;6-tert-butyl-3,5,7-trideuterio-2-methylimidazo[1,2-a]pyrimidine;6-tert-butyl-3,5,7-trideuterio-2-methylpyrazolo[1,5-a]pyrimidine;5-tert-butyl-3,4,6-trideuterio-2-methyl-1H-pyrrolo[2,3-b]pyridine;6-tert-butyl-3,5,7-trideuterio-2-methylthieno[3,2-b]pyridine;6-tert-butyl-3,5,7-trideuteriopyrazolo[1,5-a]pyrimidine;5-tert-butyl-3,4,6-trideuterio-1H-pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 158392369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).