[6-amino-5-(3-hydroxy-2,6-dimethylphenyl)-2,3-dimethylpyrrolo[2,3-b]pyrazin-7-yl]-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone

C22H24N8O2 — CID 175942109

IUPAC[6-amino-5-(3-hydroxy-2,6-dimethylphenyl)-2,3-dimethylpyrrolo[2,3-b]pyrazin-7-yl]-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
SMILESCc1ccc(O)c(C)c1-n1c(N)c(C(=O)N2CCn3cnnc3C2)c2nc(C)c(C)nc21
InChIInChI=1S/C22H24N8O2/c1-11-5-6-15(31)12(2)19(11)30-20(23)17(18-21(30)26-14(4)13(3)25-18)22(32)28-7-8-29-10-24-27-16(29)9-28/h5-6,10,31H,7-9,23H2,1-4H3
InChIKeyHBFAMJVFJXTAOQ-UHFFFAOYSA-N
MW432.49 g/mol
LogP2.19
Rot. Bonds2

About [6-amino-5-(3-hydroxy-2,6-dimethylphenyl)-2,3-dimethylpyrrolo[2,3-b]pyrazin-7-yl]-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone

[6-amino-5-(3-hydroxy-2,6-dimethylphenyl)-2,3-dimethylpyrrolo[2,3-b]pyrazin-7-yl]-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone (PubChem CID 175942109) has the molecular formula C22H24N8O2 and a molecular weight of 432.49 g/mol. Its IUPAC name is [6-amino-5-(3-hydroxy-2,6-dimethylphenyl)-2,3-dimethylpyrrolo[2,3-b]pyrazin-7-yl]-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone.

Molecular Properties

Compound Name[6-amino-5-(3-hydroxy-2,6-dimethylphenyl)-2,3-dimethylpyrrolo[2,3-b]pyrazin-7-yl]-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
PubChem CID175942109
Molecular FormulaC22H24N8O2
Molecular Weight432.49 g/mol
Exact Mass432.20
IUPAC Name[6-amino-5-(3-hydroxy-2,6-dimethylphenyl)-2,3-dimethylpyrrolo[2,3-b]pyrazin-7-yl]-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
SMILESCc1ccc(O)c(C)c1-n1c(N)c(C(=O)N2CCn3cnnc3C2)c2nc(C)c(C)nc21
InChIInChI=1S/C22H24N8O2/c1-11-5-6-15(31)12(2)19(11)30-20(23)17(18-21(30)26-14(4)13(3)25-18)22(32)28-7-8-29-10-24-27-16(29)9-28/h5-6,10,31H,7-9,23H2,1-4H3
InChIKeyHBFAMJVFJXTAOQ-UHFFFAOYSA-N
XLogP2.19
TPSA127.98 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.49
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze [6-amino-5-(3-hydroxy-2,6-dimethylphenyl)-2,3-dimethylpyrrolo[2,3-b]pyrazin-7-yl]-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [6-amino-5-(3-hydroxy-2,6-dimethylphenyl)-2,3-dimethylpyrrolo[2,3-b]pyrazin-7-yl]-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone?
The IUPAC name of [6-amino-5-(3-hydroxy-2,6-dimethylphenyl)-2,3-dimethylpyrrolo[2,3-b]pyrazin-7-yl]-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone (CID 175942109) is [6-amino-5-(3-hydroxy-2,6-dimethylphenyl)-2,3-dimethylpyrrolo[2,3-b]pyrazin-7-yl]-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone.
What is the SMILES notation for [6-amino-5-(3-hydroxy-2,6-dimethylphenyl)-2,3-dimethylpyrrolo[2,3-b]pyrazin-7-yl]-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone?
The canonical SMILES for [6-amino-5-(3-hydroxy-2,6-dimethylphenyl)-2,3-dimethylpyrrolo[2,3-b]pyrazin-7-yl]-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone is Cc1ccc(O)c(C)c1-n1c(N)c(C(=O)N2CCn3cnnc3C2)c2nc(C)c(C)nc21.
What is the InChIKey of [6-amino-5-(3-hydroxy-2,6-dimethylphenyl)-2,3-dimethylpyrrolo[2,3-b]pyrazin-7-yl]-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone?
The InChIKey is HBFAMJVFJXTAOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N8O2/c1-11-5-6-15(31)12(2)19(11)30-20(23)17(18-21(30)26-14(4)13(3)25-18)22(32)28-7-8-29-10-24-27-16(29)9-28/h5-6,10,31H,7-9,23H2,1-4H3.
What are the key properties of [6-amino-5-(3-hydroxy-2,6-dimethylphenyl)-2,3-dimethylpyrrolo[2,3-b]pyrazin-7-yl]-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone?
[6-amino-5-(3-hydroxy-2,6-dimethylphenyl)-2,3-dimethylpyrrolo[2,3-b]pyrazin-7-yl]-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone has a molecular weight of 432.49 g/mol, XLogP of 2.19, 2 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [6-amino-5-(3-hydroxy-2,6-dimethylphenyl)-2,3-dimethylpyrrolo[2,3-b]pyrazin-7-yl]-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone is sourced from PubChem (CID 175942109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).