(5-methylpyrazin-2-yl)-[2-(5-phenylpyrazin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone

C22H22N6O — CID 166604552

IUPAC(5-methylpyrazin-2-yl)-[2-(5-phenylpyrazin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone
SMILESCc1cnc(C(=O)N2CC3CN(c4cnc(-c5ccccc5)cn4)CC3C2)cn1
InChIInChI=1S/C22H22N6O/c1-15-7-24-20(9-23-15)22(29)28-13-17-11-27(12-18(17)14-28)21-10-25-19(8-26-21)16-5-3-2-4-6-16/h2-10,17-18H,11-14H2,1H3
InChIKeyGYFSBHMFUONFCY-UHFFFAOYSA-N
MW386.46 g/mol
LogP2.45
Rot. Bonds3

About (5-methylpyrazin-2-yl)-[2-(5-phenylpyrazin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone

(5-methylpyrazin-2-yl)-[2-(5-phenylpyrazin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone (PubChem CID 166604552) has the molecular formula C22H22N6O and a molecular weight of 386.46 g/mol. Its IUPAC name is (5-methylpyrazin-2-yl)-[2-(5-phenylpyrazin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone.

Molecular Properties

Compound Name(5-methylpyrazin-2-yl)-[2-(5-phenylpyrazin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone
PubChem CID166604552
Molecular FormulaC22H22N6O
Molecular Weight386.46 g/mol
Exact Mass386.19
IUPAC Name(5-methylpyrazin-2-yl)-[2-(5-phenylpyrazin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone
SMILESCc1cnc(C(=O)N2CC3CN(c4cnc(-c5ccccc5)cn4)CC3C2)cn1
InChIInChI=1S/C22H22N6O/c1-15-7-24-20(9-23-15)22(29)28-13-17-11-27(12-18(17)14-28)21-10-25-19(8-26-21)16-5-3-2-4-6-16/h2-10,17-18H,11-14H2,1H3
InChIKeyGYFSBHMFUONFCY-UHFFFAOYSA-N
XLogP2.45
TPSA75.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (5-methylpyrazin-2-yl)-[2-(5-phenylpyrazin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone 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 (5-methylpyrazin-2-yl)-[2-(5-phenylpyrazin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone?
The IUPAC name of (5-methylpyrazin-2-yl)-[2-(5-phenylpyrazin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone (CID 166604552) is (5-methylpyrazin-2-yl)-[2-(5-phenylpyrazin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone.
What is the SMILES notation for (5-methylpyrazin-2-yl)-[2-(5-phenylpyrazin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone?
The canonical SMILES for (5-methylpyrazin-2-yl)-[2-(5-phenylpyrazin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone is Cc1cnc(C(=O)N2CC3CN(c4cnc(-c5ccccc5)cn4)CC3C2)cn1.
What is the InChIKey of (5-methylpyrazin-2-yl)-[2-(5-phenylpyrazin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone?
The InChIKey is GYFSBHMFUONFCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O/c1-15-7-24-20(9-23-15)22(29)28-13-17-11-27(12-18(17)14-28)21-10-25-19(8-26-21)16-5-3-2-4-6-16/h2-10,17-18H,11-14H2,1H3.
What are the key properties of (5-methylpyrazin-2-yl)-[2-(5-phenylpyrazin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone?
(5-methylpyrazin-2-yl)-[2-(5-phenylpyrazin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone has a molecular weight of 386.46 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methylpyrazin-2-yl)-[2-(5-phenylpyrazin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone is sourced from PubChem (CID 166604552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).