2-(3-fluoro-2-pyridinyl)-5-(5-fluoropyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole

C15H15F2N5 — CID 163343479

IUPAC2-(3-fluoro-2-pyridinyl)-5-(5-fluoropyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
SMILESFc1cnc(N2CC3CN(c4ncccc4F)CC3C2)nc1
InChIInChI=1S/C15H15F2N5/c16-12-4-19-15(20-5-12)22-8-10-6-21(7-11(10)9-22)14-13(17)2-1-3-18-14/h1-5,10-11H,6-9H2
InChIKeyNELKIDHQLSWWKS-UHFFFAOYSA-N
MW303.32 g/mol
LogP1.72
Rot. Bonds2

About 2-(3-fluoro-2-pyridinyl)-5-(5-fluoropyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole

2-(3-fluoro-2-pyridinyl)-5-(5-fluoropyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole (PubChem CID 163343479) has the molecular formula C15H15F2N5 and a molecular weight of 303.32 g/mol. Its IUPAC name is 2-(3-fluoro-2-pyridinyl)-5-(5-fluoropyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole.

Molecular Properties

Compound Name2-(3-fluoro-2-pyridinyl)-5-(5-fluoropyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
PubChem CID163343479
Molecular FormulaC15H15F2N5
Molecular Weight303.32 g/mol
Exact Mass303.13
IUPAC Name2-(3-fluoro-2-pyridinyl)-5-(5-fluoropyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
SMILESFc1cnc(N2CC3CN(c4ncccc4F)CC3C2)nc1
InChIInChI=1S/C15H15F2N5/c16-12-4-19-15(20-5-12)22-8-10-6-21(7-11(10)9-22)14-13(17)2-1-3-18-14/h1-5,10-11H,6-9H2
InChIKeyNELKIDHQLSWWKS-UHFFFAOYSA-N
XLogP1.72
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(3-fluoro-2-pyridinyl)-5-(5-fluoropyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole 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-fluoro-2-pyridinyl)-5-(5-fluoropyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The IUPAC name of 2-(3-fluoro-2-pyridinyl)-5-(5-fluoropyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole (CID 163343479) is 2-(3-fluoro-2-pyridinyl)-5-(5-fluoropyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole.
What is the SMILES notation for 2-(3-fluoro-2-pyridinyl)-5-(5-fluoropyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The canonical SMILES for 2-(3-fluoro-2-pyridinyl)-5-(5-fluoropyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole is Fc1cnc(N2CC3CN(c4ncccc4F)CC3C2)nc1.
What is the InChIKey of 2-(3-fluoro-2-pyridinyl)-5-(5-fluoropyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The InChIKey is NELKIDHQLSWWKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2N5/c16-12-4-19-15(20-5-12)22-8-10-6-21(7-11(10)9-22)14-13(17)2-1-3-18-14/h1-5,10-11H,6-9H2.
What are the key properties of 2-(3-fluoro-2-pyridinyl)-5-(5-fluoropyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
2-(3-fluoro-2-pyridinyl)-5-(5-fluoropyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole has a molecular weight of 303.32 g/mol, XLogP of 1.72, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-2-pyridinyl)-5-(5-fluoropyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole is sourced from PubChem (CID 163343479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).