3-[5-[6-(2,5-dimethylpyrrol-1-yl)pyrazin-2-yl]pyrazin-2-yl]-3-azabicyclo[3.1.0]hexane

C19H20N6 — CID 118961430

IUPAC3-[5-[6-(2,5-dimethylpyrrol-1-yl)pyrazin-2-yl]pyrazin-2-yl]-3-azabicyclo[3.1.0]hexane
SMILESCc1ccc(C)n1-c1cncc(-c2cnc(N3CC4CC4C3)cn2)n1
InChIInChI=1S/C19H20N6/c1-12-3-4-13(2)25(12)19-8-20-6-17(23-19)16-7-22-18(9-21-16)24-10-14-5-15(14)11-24/h3-4,6-9,14-15H,5,10-11H2,1-2H3
InChIKeyVMPCQPDVKWTPMV-UHFFFAOYSA-N
MW332.41 g/mol
LogP2.80
Rot. Bonds3

About 3-[5-[6-(2,5-dimethylpyrrol-1-yl)pyrazin-2-yl]pyrazin-2-yl]-3-azabicyclo[3.1.0]hexane

3-[5-[6-(2,5-dimethylpyrrol-1-yl)pyrazin-2-yl]pyrazin-2-yl]-3-azabicyclo[3.1.0]hexane (PubChem CID 118961430) has the molecular formula C19H20N6 and a molecular weight of 332.41 g/mol. Its IUPAC name is 3-[5-[6-(2,5-dimethylpyrrol-1-yl)pyrazin-2-yl]pyrazin-2-yl]-3-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name3-[5-[6-(2,5-dimethylpyrrol-1-yl)pyrazin-2-yl]pyrazin-2-yl]-3-azabicyclo[3.1.0]hexane
PubChem CID118961430
Molecular FormulaC19H20N6
Molecular Weight332.41 g/mol
Exact Mass332.17
IUPAC Name3-[5-[6-(2,5-dimethylpyrrol-1-yl)pyrazin-2-yl]pyrazin-2-yl]-3-azabicyclo[3.1.0]hexane
SMILESCc1ccc(C)n1-c1cncc(-c2cnc(N3CC4CC4C3)cn2)n1
InChIInChI=1S/C19H20N6/c1-12-3-4-13(2)25(12)19-8-20-6-17(23-19)16-7-22-18(9-21-16)24-10-14-5-15(14)11-24/h3-4,6-9,14-15H,5,10-11H2,1-2H3
InChIKeyVMPCQPDVKWTPMV-UHFFFAOYSA-N
XLogP2.80
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[5-[6-(2,5-dimethylpyrrol-1-yl)pyrazin-2-yl]pyrazin-2-yl]-3-azabicyclo[3.1.0]hexane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(5-chloropyrazin-2-yl)-3-azabicyclo[3.1.0]hexane
CID 131218863
2-[6-(3-azabicyclo[3.1.0]hexan-3-yl)pyrazin-2-yl]-1,3,4-thiadiazole
CID 166104895
2-[5-(3-azabicyclo[3.1.0]hexan-3-yl)pyrazin-2-yl]-4-methyl-1,3-thiazole;2-[5-(3-azabicyclo[3.1.0]hexan-3-yl)pyrazin-2-yl]-1,3-thiazol-4-amine;deuterioethane;2,2,2-trifluoroacetaldehyde
CID 160696875
2-(5-chloropyrazin-2-yl)-5-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 155406135
2-[6-(3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]-1,3-thiazol-4-amine;ethane
CID 145049338
2-[5-(3-azabicyclo[3.1.0]hexan-3-yl)pyrazin-2-yl]-1,3-thiazole-4-carboxylic acid;tert-butyl 2-[5-(3-azabicyclo[3.1.0]hexan-3-yl)pyrazin-2-yl]-1,3-thiazole-4-carboxylate
CID 160772932
2-(3-azabicyclo[3.1.0]hexan-3-yl)-4-pyrazin-2-yl-1,3-thiazole
CID 167754412
5-(4,6-dimethylpyrimidin-2-yl)-2-(5-fluoro-2-pyridinyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 163352607
6-[6-(3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]-N-methylpyridin-2-amine
CID 146489727
[2-[5-(4-chlorophenyl)pyrazin-2-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 171324373
5-(1-butylpyrrolidin-2-yl)-2-(2,5-dimethylpyrrol-1-yl)pyridine
CID 102541889
5-[[5-[5-(4-chlorophenyl)pyrazin-2-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-3-methyl-1,2-oxazole
CID 171337997

Frequently Asked Questions

What is the IUPAC name of 3-[5-[6-(2,5-dimethylpyrrol-1-yl)pyrazin-2-yl]pyrazin-2-yl]-3-azabicyclo[3.1.0]hexane?
The IUPAC name of 3-[5-[6-(2,5-dimethylpyrrol-1-yl)pyrazin-2-yl]pyrazin-2-yl]-3-azabicyclo[3.1.0]hexane (CID 118961430) is 3-[5-[6-(2,5-dimethylpyrrol-1-yl)pyrazin-2-yl]pyrazin-2-yl]-3-azabicyclo[3.1.0]hexane.
What is the SMILES notation for 3-[5-[6-(2,5-dimethylpyrrol-1-yl)pyrazin-2-yl]pyrazin-2-yl]-3-azabicyclo[3.1.0]hexane?
The canonical SMILES for 3-[5-[6-(2,5-dimethylpyrrol-1-yl)pyrazin-2-yl]pyrazin-2-yl]-3-azabicyclo[3.1.0]hexane is Cc1ccc(C)n1-c1cncc(-c2cnc(N3CC4CC4C3)cn2)n1.
What is the InChIKey of 3-[5-[6-(2,5-dimethylpyrrol-1-yl)pyrazin-2-yl]pyrazin-2-yl]-3-azabicyclo[3.1.0]hexane?
The InChIKey is VMPCQPDVKWTPMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6/c1-12-3-4-13(2)25(12)19-8-20-6-17(23-19)16-7-22-18(9-21-16)24-10-14-5-15(14)11-24/h3-4,6-9,14-15H,5,10-11H2,1-2H3.
What are the key properties of 3-[5-[6-(2,5-dimethylpyrrol-1-yl)pyrazin-2-yl]pyrazin-2-yl]-3-azabicyclo[3.1.0]hexane?
3-[5-[6-(2,5-dimethylpyrrol-1-yl)pyrazin-2-yl]pyrazin-2-yl]-3-azabicyclo[3.1.0]hexane has a molecular weight of 332.41 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[6-(2,5-dimethylpyrrol-1-yl)pyrazin-2-yl]pyrazin-2-yl]-3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 118961430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).