2,7-dimethylpyrazolo[3,4-c]pyridin-5-amine;ethane;1,3,6-trimethylpyrrolo[1,2-a]pyrazine

C20H28N6 — CID 176567044

IUPAC2,7-dimethylpyrazolo[3,4-c]pyridin-5-amine;ethane;1,3,6-trimethylpyrrolo[1,2-a]pyrazine
SMILESCC.Cc1cn2c(C)ccc2c(C)n1.Cc1nc(N)cc2cn(C)nc12
InChIInChI=1S/C10H12N2.C8H10N4.C2H6/c1-7-6-12-8(2)4-5-10(12)9(3)11-7;1-5-8-6(3-7(9)10-5)4-12(2)11-8;1-2/h4-6H,1-3H3;3-4H,9H2,1-2H3;1-2H3
InChIKeySYFZXLVTMVBYRJ-UHFFFAOYSA-N
MW352.49 g/mol
LogP4.14
Rot. Bonds

About 2,7-dimethylpyrazolo[3,4-c]pyridin-5-amine;ethane;1,3,6-trimethylpyrrolo[1,2-a]pyrazine

2,7-dimethylpyrazolo[3,4-c]pyridin-5-amine;ethane;1,3,6-trimethylpyrrolo[1,2-a]pyrazine (PubChem CID 176567044) has the molecular formula C20H28N6 and a molecular weight of 352.49 g/mol. Its IUPAC name is 2,7-dimethylpyrazolo[3,4-c]pyridin-5-amine;ethane;1,3,6-trimethylpyrrolo[1,2-a]pyrazine.

Molecular Properties

Compound Name2,7-dimethylpyrazolo[3,4-c]pyridin-5-amine;ethane;1,3,6-trimethylpyrrolo[1,2-a]pyrazine
PubChem CID176567044
Molecular FormulaC20H28N6
Molecular Weight352.49 g/mol
Exact Mass352.24
IUPAC Name2,7-dimethylpyrazolo[3,4-c]pyridin-5-amine;ethane;1,3,6-trimethylpyrrolo[1,2-a]pyrazine
SMILESCC.Cc1cn2c(C)ccc2c(C)n1.Cc1nc(N)cc2cn(C)nc12
InChIInChI=1S/C10H12N2.C8H10N4.C2H6/c1-7-6-12-8(2)4-5-10(12)9(3)11-7;1-5-8-6(3-7(9)10-5)4-12(2)11-8;1-2/h4-6H,1-3H3;3-4H,9H2,1-2H3;1-2H3
InChIKeySYFZXLVTMVBYRJ-UHFFFAOYSA-N
XLogP4.14
TPSA74.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.49
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,7-dimethylpyrazolo[3,4-c]pyridin-5-amine;ethane;1,3,6-trimethylpyrrolo[1,2-a]pyrazine?
The IUPAC name of 2,7-dimethylpyrazolo[3,4-c]pyridin-5-amine;ethane;1,3,6-trimethylpyrrolo[1,2-a]pyrazine (CID 176567044) is 2,7-dimethylpyrazolo[3,4-c]pyridin-5-amine;ethane;1,3,6-trimethylpyrrolo[1,2-a]pyrazine.
What is the SMILES notation for 2,7-dimethylpyrazolo[3,4-c]pyridin-5-amine;ethane;1,3,6-trimethylpyrrolo[1,2-a]pyrazine?
The canonical SMILES for 2,7-dimethylpyrazolo[3,4-c]pyridin-5-amine;ethane;1,3,6-trimethylpyrrolo[1,2-a]pyrazine is CC.Cc1cn2c(C)ccc2c(C)n1.Cc1nc(N)cc2cn(C)nc12.
What is the InChIKey of 2,7-dimethylpyrazolo[3,4-c]pyridin-5-amine;ethane;1,3,6-trimethylpyrrolo[1,2-a]pyrazine?
The InChIKey is SYFZXLVTMVBYRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2.C8H10N4.C2H6/c1-7-6-12-8(2)4-5-10(12)9(3)11-7;1-5-8-6(3-7(9)10-5)4-12(2)11-8;1-2/h4-6H,1-3H3;3-4H,9H2,1-2H3;1-2H3.
What are the key properties of 2,7-dimethylpyrazolo[3,4-c]pyridin-5-amine;ethane;1,3,6-trimethylpyrrolo[1,2-a]pyrazine?
2,7-dimethylpyrazolo[3,4-c]pyridin-5-amine;ethane;1,3,6-trimethylpyrrolo[1,2-a]pyrazine has a molecular weight of 352.49 g/mol, XLogP of 4.14, 0 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethylpyrazolo[3,4-c]pyridin-5-amine;ethane;1,3,6-trimethylpyrrolo[1,2-a]pyrazine is sourced from PubChem (CID 176567044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).