[(3aS,6aR)-2-(4-methylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(2-phenylphenyl)methanone

C24H24N4O — CID 122180327

IUPAC[(3aS,6aR)-2-(4-methylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(2-phenylphenyl)methanone
SMILESCc1ccnc(N2C[C@H]3CN(C(=O)c4ccccc4-c4ccccc4)C[C@H]3C2)n1
InChIInChI=1S/C24H24N4O/c1-17-11-12-25-24(26-17)28-15-19-13-27(14-20(19)16-28)23(29)22-10-6-5-9-21(22)18-7-3-2-4-8-18/h2-12,19-20H,13-16H2,1H3/t19-,20+
InChIKeyFWWNHEYEKVWHKE-BGYRXZFFSA-N
MW384.48 g/mol
LogP3.66
Rot. Bonds3

About [(3aS,6aR)-2-(4-methylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(2-phenylphenyl)methanone

[(3aS,6aR)-2-(4-methylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(2-phenylphenyl)methanone (PubChem CID 122180327) has the molecular formula C24H24N4O and a molecular weight of 384.48 g/mol. Its IUPAC name is [(3aS,6aR)-2-(4-methylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(2-phenylphenyl)methanone.

Molecular Properties

Compound Name[(3aS,6aR)-2-(4-methylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(2-phenylphenyl)methanone
PubChem CID122180327
Molecular FormulaC24H24N4O
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Name[(3aS,6aR)-2-(4-methylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(2-phenylphenyl)methanone
SMILESCc1ccnc(N2C[C@H]3CN(C(=O)c4ccccc4-c4ccccc4)C[C@H]3C2)n1
InChIInChI=1S/C24H24N4O/c1-17-11-12-25-24(26-17)28-15-19-13-27(14-20(19)16-28)23(29)22-10-6-5-9-21(22)18-7-3-2-4-8-18/h2-12,19-20H,13-16H2,1H3/t19-,20+
InChIKeyFWWNHEYEKVWHKE-BGYRXZFFSA-N
XLogP3.66
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(3aS,6aR)-2-(4-methylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(2-phenylphenyl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(3aS,6aR)-2-(4-methylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(2-phenylphenyl)methanone?
The IUPAC name of [(3aS,6aR)-2-(4-methylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(2-phenylphenyl)methanone (CID 122180327) is [(3aS,6aR)-2-(4-methylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(2-phenylphenyl)methanone.
What is the SMILES notation for [(3aS,6aR)-2-(4-methylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(2-phenylphenyl)methanone?
The canonical SMILES for [(3aS,6aR)-2-(4-methylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(2-phenylphenyl)methanone is Cc1ccnc(N2C[C@H]3CN(C(=O)c4ccccc4-c4ccccc4)C[C@H]3C2)n1.
What is the InChIKey of [(3aS,6aR)-2-(4-methylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(2-phenylphenyl)methanone?
The InChIKey is FWWNHEYEKVWHKE-BGYRXZFFSA-N. The full InChI is InChI=1S/C24H24N4O/c1-17-11-12-25-24(26-17)28-15-19-13-27(14-20(19)16-28)23(29)22-10-6-5-9-21(22)18-7-3-2-4-8-18/h2-12,19-20H,13-16H2,1H3/t19-,20+.
What are the key properties of [(3aS,6aR)-2-(4-methylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(2-phenylphenyl)methanone?
[(3aS,6aR)-2-(4-methylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(2-phenylphenyl)methanone has a molecular weight of 384.48 g/mol, XLogP of 3.66, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aS,6aR)-2-(4-methylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(2-phenylphenyl)methanone is sourced from PubChem (CID 122180327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).