[2-(3-chloro-2-pyridinyl)-3-fluorophenyl]-[2-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone

C24H23ClFN5O — CID 67116221

IUPAC[2-(3-chloro-2-pyridinyl)-3-fluorophenyl]-[2-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone
SMILESCc1cc(C)nc(N2CC3CN(C(=O)c4cccc(F)c4-c4ncccc4Cl)CC3C2)n1
InChIInChI=1S/C24H23ClFN5O/c1-14-9-15(2)29-24(28-14)31-12-16-10-30(11-17(16)13-31)23(32)18-5-3-7-20(26)21(18)22-19(25)6-4-8-27-22/h3-9,16-17H,10-13H2,1-2H3
InChIKeyNXILJGRGFJUIEF-UHFFFAOYSA-N
MW451.93 g/mol
LogP4.16
Rot. Bonds3

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

[2-(3-chloro-2-pyridinyl)-3-fluorophenyl]-[2-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone (PubChem CID 67116221) has the molecular formula C24H23ClFN5O and a molecular weight of 451.93 g/mol. Its IUPAC name is [2-(3-chloro-2-pyridinyl)-3-fluorophenyl]-[2-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone.

Molecular Properties

Compound Name[2-(3-chloro-2-pyridinyl)-3-fluorophenyl]-[2-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone
PubChem CID67116221
Molecular FormulaC24H23ClFN5O
Molecular Weight451.93 g/mol
Exact Mass451.16
IUPAC Name[2-(3-chloro-2-pyridinyl)-3-fluorophenyl]-[2-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone
SMILESCc1cc(C)nc(N2CC3CN(C(=O)c4cccc(F)c4-c4ncccc4Cl)CC3C2)n1
InChIInChI=1S/C24H23ClFN5O/c1-14-9-15(2)29-24(28-14)31-12-16-10-30(11-17(16)13-31)23(32)18-5-3-7-20(26)21(18)22-19(25)6-4-8-27-22/h3-9,16-17H,10-13H2,1-2H3
InChIKeyNXILJGRGFJUIEF-UHFFFAOYSA-N
XLogP4.16
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.93
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [2-(3-chloro-2-pyridinyl)-3-fluorophenyl]-[2-(4,6-dimethylpyrimidin-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-chloro-2-pyridinyl)-3-fluorophenyl]-[2-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone?
The IUPAC name of [2-(3-chloro-2-pyridinyl)-3-fluorophenyl]-[2-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone (CID 67116221) is [2-(3-chloro-2-pyridinyl)-3-fluorophenyl]-[2-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone.
What is the SMILES notation for [2-(3-chloro-2-pyridinyl)-3-fluorophenyl]-[2-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone?
The canonical SMILES for [2-(3-chloro-2-pyridinyl)-3-fluorophenyl]-[2-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone is Cc1cc(C)nc(N2CC3CN(C(=O)c4cccc(F)c4-c4ncccc4Cl)CC3C2)n1.
What is the InChIKey of [2-(3-chloro-2-pyridinyl)-3-fluorophenyl]-[2-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone?
The InChIKey is NXILJGRGFJUIEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClFN5O/c1-14-9-15(2)29-24(28-14)31-12-16-10-30(11-17(16)13-31)23(32)18-5-3-7-20(26)21(18)22-19(25)6-4-8-27-22/h3-9,16-17H,10-13H2,1-2H3.
What are the key properties of [2-(3-chloro-2-pyridinyl)-3-fluorophenyl]-[2-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone?
[2-(3-chloro-2-pyridinyl)-3-fluorophenyl]-[2-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone has a molecular weight of 451.93 g/mol, XLogP of 4.16, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-chloro-2-pyridinyl)-3-fluorophenyl]-[2-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone is sourced from PubChem (CID 67116221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).