[2-(3-fluorophenyl)phenyl]-[2-(4-methylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone

C24H23FN4O — CID 52917164

IUPAC[2-(3-fluorophenyl)phenyl]-[2-(4-methylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone
SMILESCc1ccnc(N2CC3CN(C(=O)c4ccccc4-c4cccc(F)c4)CC3C2)n1
InChIInChI=1S/C24H23FN4O/c1-16-9-10-26-24(27-16)29-14-18-12-28(13-19(18)15-29)23(30)22-8-3-2-7-21(22)17-5-4-6-20(25)11-17/h2-11,18-19H,12-15H2,1H3
InChIKeyGDYPZYXSMGJUAS-UHFFFAOYSA-N
MW402.47 g/mol
LogP3.80
Rot. Bonds3

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

[2-(3-fluorophenyl)phenyl]-[2-(4-methylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone (PubChem CID 52917164) has the molecular formula C24H23FN4O and a molecular weight of 402.47 g/mol. Its IUPAC name is [2-(3-fluorophenyl)phenyl]-[2-(4-methylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone.

Molecular Properties

Compound Name[2-(3-fluorophenyl)phenyl]-[2-(4-methylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone
PubChem CID52917164
Molecular FormulaC24H23FN4O
Molecular Weight402.47 g/mol
Exact Mass402.19
IUPAC Name[2-(3-fluorophenyl)phenyl]-[2-(4-methylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone
SMILESCc1ccnc(N2CC3CN(C(=O)c4ccccc4-c4cccc(F)c4)CC3C2)n1
InChIInChI=1S/C24H23FN4O/c1-16-9-10-26-24(27-16)29-14-18-12-28(13-19(18)15-29)23(30)22-8-3-2-7-21(22)17-5-4-6-20(25)11-17/h2-11,18-19H,12-15H2,1H3
InChIKeyGDYPZYXSMGJUAS-UHFFFAOYSA-N
XLogP3.80
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.47
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [2-(3-fluorophenyl)phenyl]-[2-(4-methylpyrimidin-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 [2-(3-fluorophenyl)phenyl]-[2-(4-methylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone?
The IUPAC name of [2-(3-fluorophenyl)phenyl]-[2-(4-methylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone (CID 52917164) is [2-(3-fluorophenyl)phenyl]-[2-(4-methylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone.
What is the SMILES notation for [2-(3-fluorophenyl)phenyl]-[2-(4-methylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone?
The canonical SMILES for [2-(3-fluorophenyl)phenyl]-[2-(4-methylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone is Cc1ccnc(N2CC3CN(C(=O)c4ccccc4-c4cccc(F)c4)CC3C2)n1.
What is the InChIKey of [2-(3-fluorophenyl)phenyl]-[2-(4-methylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone?
The InChIKey is GDYPZYXSMGJUAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN4O/c1-16-9-10-26-24(27-16)29-14-18-12-28(13-19(18)15-29)23(30)22-8-3-2-7-21(22)17-5-4-6-20(25)11-17/h2-11,18-19H,12-15H2,1H3.
What are the key properties of [2-(3-fluorophenyl)phenyl]-[2-(4-methylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone?
[2-(3-fluorophenyl)phenyl]-[2-(4-methylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone has a molecular weight of 402.47 g/mol, XLogP of 3.80, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-fluorophenyl)phenyl]-[2-(4-methylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone is sourced from PubChem (CID 52917164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).