5,7-dimethyl-1H-pyrrolo[3,2-b]pyridine;1,5,6-trimethylpyrrolo[2,3-b]pyridine

C19H22N4 — CID 158271439

IUPAC5,7-dimethyl-1H-pyrrolo[3,2-b]pyridine;1,5,6-trimethylpyrrolo[2,3-b]pyridine
SMILESCc1cc(C)c2[nH]ccc2n1.Cc1cc2ccn(C)c2nc1C
InChIInChI=1S/C10H12N2.C9H10N2/c1-7-6-9-4-5-12(3)10(9)11-8(7)2;1-6-5-7(2)11-8-3-4-10-9(6)8/h4-6H,1-3H3;3-5,10H,1-2H3
InChIKeyGJBPQCGHUMJYED-UHFFFAOYSA-N
MW306.41 g/mol
LogP4.37
Rot. Bonds

About 5,7-dimethyl-1H-pyrrolo[3,2-b]pyridine;1,5,6-trimethylpyrrolo[2,3-b]pyridine

5,7-dimethyl-1H-pyrrolo[3,2-b]pyridine;1,5,6-trimethylpyrrolo[2,3-b]pyridine (PubChem CID 158271439) has the molecular formula C19H22N4 and a molecular weight of 306.41 g/mol. Its IUPAC name is 5,7-dimethyl-1H-pyrrolo[3,2-b]pyridine;1,5,6-trimethylpyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name5,7-dimethyl-1H-pyrrolo[3,2-b]pyridine;1,5,6-trimethylpyrrolo[2,3-b]pyridine
PubChem CID158271439
Molecular FormulaC19H22N4
Molecular Weight306.41 g/mol
Exact Mass306.18
IUPAC Name5,7-dimethyl-1H-pyrrolo[3,2-b]pyridine;1,5,6-trimethylpyrrolo[2,3-b]pyridine
SMILESCc1cc(C)c2[nH]ccc2n1.Cc1cc2ccn(C)c2nc1C
InChIInChI=1S/C10H12N2.C9H10N2/c1-7-6-9-4-5-12(3)10(9)11-8(7)2;1-6-5-7(2)11-8-3-4-10-9(6)8/h4-6H,1-3H3;3-5,10H,1-2H3
InChIKeyGJBPQCGHUMJYED-UHFFFAOYSA-N
XLogP4.37
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-1H-pyrrolo[3,2-b]pyridine;1,5,6-trimethylpyrrolo[2,3-b]pyridine?
The IUPAC name of 5,7-dimethyl-1H-pyrrolo[3,2-b]pyridine;1,5,6-trimethylpyrrolo[2,3-b]pyridine (CID 158271439) is 5,7-dimethyl-1H-pyrrolo[3,2-b]pyridine;1,5,6-trimethylpyrrolo[2,3-b]pyridine.
What is the SMILES notation for 5,7-dimethyl-1H-pyrrolo[3,2-b]pyridine;1,5,6-trimethylpyrrolo[2,3-b]pyridine?
The canonical SMILES for 5,7-dimethyl-1H-pyrrolo[3,2-b]pyridine;1,5,6-trimethylpyrrolo[2,3-b]pyridine is Cc1cc(C)c2[nH]ccc2n1.Cc1cc2ccn(C)c2nc1C.
What is the InChIKey of 5,7-dimethyl-1H-pyrrolo[3,2-b]pyridine;1,5,6-trimethylpyrrolo[2,3-b]pyridine?
The InChIKey is GJBPQCGHUMJYED-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2.C9H10N2/c1-7-6-9-4-5-12(3)10(9)11-8(7)2;1-6-5-7(2)11-8-3-4-10-9(6)8/h4-6H,1-3H3;3-5,10H,1-2H3.
What are the key properties of 5,7-dimethyl-1H-pyrrolo[3,2-b]pyridine;1,5,6-trimethylpyrrolo[2,3-b]pyridine?
5,7-dimethyl-1H-pyrrolo[3,2-b]pyridine;1,5,6-trimethylpyrrolo[2,3-b]pyridine has a molecular weight of 306.41 g/mol, XLogP of 4.37, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-1H-pyrrolo[3,2-b]pyridine;1,5,6-trimethylpyrrolo[2,3-b]pyridine is sourced from PubChem (CID 158271439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).