6-tert-butyl-2,9-dimethylpurine;4-tert-butyl-1,2-dimethylpyrrolo[2,3-b]pyridine;4-tert-butyl-1,3-dimethylpyrrolo[2,3-b]pyridine;4-tert-butyl-1-methylpyrazolo[3,4-b]pyridine;4-tert-butyl-1-methylpyrrolo[2,3-b]pyridine;7-tert-butyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine;4-tert-butyl-3H-pyrrolo[2,3-b]pyridine

C81H111N19 — CID 167704133

IUPAC6-tert-butyl-2,9-dimethylpurine;4-tert-butyl-1,2-dimethylpyrrolo[2,3-b]pyridine;4-tert-butyl-1,3-dimethylpyrrolo[2,3-b]pyridine;4-tert-butyl-1-methylpyrazolo[3,4-b]pyridine;4-tert-butyl-1-methylpyrrolo[2,3-b]pyridine;7-tert-butyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine;4-tert-butyl-3H-pyrrolo[2,3-b]pyridine
SMILESCC(C)(C)c1ccnc2c1CC=N2.Cc1cc(C(C)(C)C)n2ncnc2n1.Cc1cc2c(C(C)(C)C)ccnc2n1C.Cc1cn(C)c2nccc(C(C)(C)C)c12.Cc1nc(C(C)(C)C)c2ncn(C)c2n1.Cn1ccc2c(C(C)(C)C)ccnc21.Cn1ncc2c(C(C)(C)C)ccnc21
InChIInChI=1S/2C13H18N2.C12H16N2.C11H16N4.C11H15N3.C11H14N2.C10H14N4/c1-9-8-10-11(13(2,3)4)6-7-14-12(10)15(9)5;1-9-8-15(5)12-11(9)10(6-7-14-12)13(2,3)4;1-12(2,3)10-5-7-13-11-9(10)6-8-14(11)4;1-7-13-9(11(2,3)4)8-10(14-7)15(5)6-12-8;1-11(2,3)9-5-6-12-10-8(9)7-13-14(10)4;1-11(2,3)9-5-7-13-10-8(9)4-6-12-10;1-7-5-8(10(2,3)4)14-9(13-7)11-6-12-14/h2*6-8H,1-5H3;5-8H,1-4H3;6H,1-5H3;5-7H,1-4H3;5-7H,4H2,1-3H3;5-6H,1-4H3
InChIKeyYVQFZEOCXADVGJ-UHFFFAOYSA-N
MW1350.91 g/mol
LogP17.83
Rot. Bonds

About 6-tert-butyl-2,9-dimethylpurine;4-tert-butyl-1,2-dimethylpyrrolo[2,3-b]pyridine;4-tert-butyl-1,3-dimethylpyrrolo[2,3-b]pyridine;4-tert-butyl-1-methylpyrazolo[3,4-b]pyridine;4-tert-butyl-1-methylpyrrolo[2,3-b]pyridine;7-tert-butyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine;4-tert-butyl-3H-pyrrolo[2,3-b]pyridine

6-tert-butyl-2,9-dimethylpurine;4-tert-butyl-1,2-dimethylpyrrolo[2,3-b]pyridine;4-tert-butyl-1,3-dimethylpyrrolo[2,3-b]pyridine;4-tert-butyl-1-methylpyrazolo[3,4-b]pyridine;4-tert-butyl-1-methylpyrrolo[2,3-b]pyridine;7-tert-butyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine;4-tert-butyl-3H-pyrrolo[2,3-b]pyridine (PubChem CID 167704133) has the molecular formula C81H111N19 and a molecular weight of 1350.91 g/mol. Its IUPAC name is 6-tert-butyl-2,9-dimethylpurine;4-tert-butyl-1,2-dimethylpyrrolo[2,3-b]pyridine;4-tert-butyl-1,3-dimethylpyrrolo[2,3-b]pyridine;4-tert-butyl-1-methylpyrazolo[3,4-b]pyridine;4-tert-butyl-1-methylpyrrolo[2,3-b]pyridine;7-tert-butyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine;4-tert-butyl-3H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name6-tert-butyl-2,9-dimethylpurine;4-tert-butyl-1,2-dimethylpyrrolo[2,3-b]pyridine;4-tert-butyl-1,3-dimethylpyrrolo[2,3-b]pyridine;4-tert-butyl-1-methylpyrazolo[3,4-b]pyridine;4-tert-butyl-1-methylpyrrolo[2,3-b]pyridine;7-tert-butyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine;4-tert-butyl-3H-pyrrolo[2,3-b]pyridine
PubChem CID167704133
Molecular FormulaC81H111N19
Molecular Weight1350.91 g/mol
Exact Mass1349.93
IUPAC Name6-tert-butyl-2,9-dimethylpurine;4-tert-butyl-1,2-dimethylpyrrolo[2,3-b]pyridine;4-tert-butyl-1,3-dimethylpyrrolo[2,3-b]pyridine;4-tert-butyl-1-methylpyrazolo[3,4-b]pyridine;4-tert-butyl-1-methylpyrrolo[2,3-b]pyridine;7-tert-butyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine;4-tert-butyl-3H-pyrrolo[2,3-b]pyridine
SMILESCC(C)(C)c1ccnc2c1CC=N2.Cc1cc(C(C)(C)C)n2ncnc2n1.Cc1cc2c(C(C)(C)C)ccnc2n1C.Cc1cn(C)c2nccc(C(C)(C)C)c12.Cc1nc(C(C)(C)C)c2ncn(C)c2n1.Cn1ccc2c(C(C)(C)C)ccnc21.Cn1ncc2c(C(C)(C)C)ccnc21
InChIInChI=1S/2C13H18N2.C12H16N2.C11H16N4.C11H15N3.C11H14N2.C10H14N4/c1-9-8-10-11(13(2,3)4)6-7-14-12(10)15(9)5;1-9-8-15(5)12-11(9)10(6-7-14-12)13(2,3)4;1-12(2,3)10-5-7-13-11-9(10)6-8-14(11)4;1-7-13-9(11(2,3)4)8-10(14-7)15(5)6-12-8;1-11(2,3)9-5-6-12-10-8(9)7-13-14(10)4;1-11(2,3)9-5-7-13-10-8(9)4-6-12-10;1-7-5-8(10(2,3)4)14-9(13-7)11-6-12-14/h2*6-8H,1-5H3;5-8H,1-4H3;6H,1-5H3;5-7H,1-4H3;5-7H,4H2,1-3H3;5-6H,1-4H3
InChIKeyYVQFZEOCXADVGJ-UHFFFAOYSA-N
XLogP17.83
TPSA196.10 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds
Heavy Atoms100
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001350.91
LogP ≤ 517.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

Analyze 6-tert-butyl-2,9-dimethylpurine;4-tert-butyl-1,2-dimethylpyrrolo[2,3-b]pyridine;4-tert-butyl-1,3-dimethylpyrrolo[2,3-b]pyridine;4-tert-butyl-1-methylpyrazolo[3,4-b]pyridine;4-tert-butyl-1-methylpyrrolo[2,3-b]pyridine;7-tert-butyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine;4-tert-butyl-3H-pyrrolo[2,3-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

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2,9-dimethylpurine;4-tert-butyl-1,2-dimethylpyrrolo[2,3-b]pyridine;4-tert-butyl-1,3-dimethylpyrrolo[2,3-b]pyridine;4-tert-butyl-1-methylpyrazolo[3,4-b]pyridine;4-tert-butyl-1-methylpyrrolo[2,3-b]pyridine;7-tert-butyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine;4-tert-butyl-3H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 6-tert-butyl-2,9-dimethylpurine;4-tert-butyl-1,2-dimethylpyrrolo[2,3-b]pyridine;4-tert-butyl-1,3-dimethylpyrrolo[2,3-b]pyridine;4-tert-butyl-1-methylpyrazolo[3,4-b]pyridine;4-tert-butyl-1-methylpyrrolo[2,3-b]pyridine;7-tert-butyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine;4-tert-butyl-3H-pyrrolo[2,3-b]pyridine (CID 167704133) is 6-tert-butyl-2,9-dimethylpurine;4-tert-butyl-1,2-dimethylpyrrolo[2,3-b]pyridine;4-tert-butyl-1,3-dimethylpyrrolo[2,3-b]pyridine;4-tert-butyl-1-methylpyrazolo[3,4-b]pyridine;4-tert-butyl-1-methylpyrrolo[2,3-b]pyridine;7-tert-butyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine;4-tert-butyl-3H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 6-tert-butyl-2,9-dimethylpurine;4-tert-butyl-1,2-dimethylpyrrolo[2,3-b]pyridine;4-tert-butyl-1,3-dimethylpyrrolo[2,3-b]pyridine;4-tert-butyl-1-methylpyrazolo[3,4-b]pyridine;4-tert-butyl-1-methylpyrrolo[2,3-b]pyridine;7-tert-butyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine;4-tert-butyl-3H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 6-tert-butyl-2,9-dimethylpurine;4-tert-butyl-1,2-dimethylpyrrolo[2,3-b]pyridine;4-tert-butyl-1,3-dimethylpyrrolo[2,3-b]pyridine;4-tert-butyl-1-methylpyrazolo[3,4-b]pyridine;4-tert-butyl-1-methylpyrrolo[2,3-b]pyridine;7-tert-butyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine;4-tert-butyl-3H-pyrrolo[2,3-b]pyridine is CC(C)(C)c1ccnc2c1CC=N2.Cc1cc(C(C)(C)C)n2ncnc2n1.Cc1cc2c(C(C)(C)C)ccnc2n1C.Cc1cn(C)c2nccc(C(C)(C)C)c12.Cc1nc(C(C)(C)C)c2ncn(C)c2n1.Cn1ccc2c(C(C)(C)C)ccnc21.Cn1ncc2c(C(C)(C)C)ccnc21.
What is the InChIKey of 6-tert-butyl-2,9-dimethylpurine;4-tert-butyl-1,2-dimethylpyrrolo[2,3-b]pyridine;4-tert-butyl-1,3-dimethylpyrrolo[2,3-b]pyridine;4-tert-butyl-1-methylpyrazolo[3,4-b]pyridine;4-tert-butyl-1-methylpyrrolo[2,3-b]pyridine;7-tert-butyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine;4-tert-butyl-3H-pyrrolo[2,3-b]pyridine?
The InChIKey is YVQFZEOCXADVGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H18N2.C12H16N2.C11H16N4.C11H15N3.C11H14N2.C10H14N4/c1-9-8-10-11(13(2,3)4)6-7-14-12(10)15(9)5;1-9-8-15(5)12-11(9)10(6-7-14-12)13(2,3)4;1-12(2,3)10-5-7-13-11-9(10)6-8-14(11)4;1-7-13-9(11(2,3)4)8-10(14-7)15(5)6-12-8;1-11(2,3)9-5-6-12-10-8(9)7-13-14(10)4;1-11(2,3)9-5-7-13-10-8(9)4-6-12-10;1-7-5-8(10(2,3)4)14-9(13-7)11-6-12-14/h2*6-8H,1-5H3;5-8H,1-4H3;6H,1-5H3;5-7H,1-4H3;5-7H,4H2,1-3H3;5-6H,1-4H3.
What are the key properties of 6-tert-butyl-2,9-dimethylpurine;4-tert-butyl-1,2-dimethylpyrrolo[2,3-b]pyridine;4-tert-butyl-1,3-dimethylpyrrolo[2,3-b]pyridine;4-tert-butyl-1-methylpyrazolo[3,4-b]pyridine;4-tert-butyl-1-methylpyrrolo[2,3-b]pyridine;7-tert-butyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine;4-tert-butyl-3H-pyrrolo[2,3-b]pyridine?
6-tert-butyl-2,9-dimethylpurine;4-tert-butyl-1,2-dimethylpyrrolo[2,3-b]pyridine;4-tert-butyl-1,3-dimethylpyrrolo[2,3-b]pyridine;4-tert-butyl-1-methylpyrazolo[3,4-b]pyridine;4-tert-butyl-1-methylpyrrolo[2,3-b]pyridine;7-tert-butyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine;4-tert-butyl-3H-pyrrolo[2,3-b]pyridine has a molecular weight of 1350.91 g/mol, XLogP of 17.83, 0 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2,9-dimethylpurine;4-tert-butyl-1,2-dimethylpyrrolo[2,3-b]pyridine;4-tert-butyl-1,3-dimethylpyrrolo[2,3-b]pyridine;4-tert-butyl-1-methylpyrazolo[3,4-b]pyridine;4-tert-butyl-1-methylpyrrolo[2,3-b]pyridine;7-tert-butyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine;4-tert-butyl-3H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 167704133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).