3-[2-[2-(5-fluoro-2-pyridinyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-2-oxoethyl]-6-methylpyrimidin-4-one

C18H20FN5O2 — CID 163358450

IUPAC3-[2-[2-(5-fluoro-2-pyridinyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-2-oxoethyl]-6-methylpyrimidin-4-one
SMILESCc1cc(=O)n(CC(=O)N2CC3CN(c4ccc(F)cn4)CC3C2)cn1
InChIInChI=1S/C18H20FN5O2/c1-12-4-17(25)24(11-21-12)10-18(26)23-8-13-6-22(7-14(13)9-23)16-3-2-15(19)5-20-16/h2-5,11,13-14H,6-10H2,1H3
InChIKeyWOHNRLKBZAJMAM-UHFFFAOYSA-N
MW357.39 g/mol
LogP0.68
Rot. Bonds3

About 3-[2-[2-(5-fluoro-2-pyridinyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-2-oxoethyl]-6-methylpyrimidin-4-one

3-[2-[2-(5-fluoro-2-pyridinyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-2-oxoethyl]-6-methylpyrimidin-4-one (PubChem CID 163358450) has the molecular formula C18H20FN5O2 and a molecular weight of 357.39 g/mol. Its IUPAC name is 3-[2-[2-(5-fluoro-2-pyridinyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-2-oxoethyl]-6-methylpyrimidin-4-one.

Molecular Properties

Compound Name3-[2-[2-(5-fluoro-2-pyridinyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-2-oxoethyl]-6-methylpyrimidin-4-one
PubChem CID163358450
Molecular FormulaC18H20FN5O2
Molecular Weight357.39 g/mol
Exact Mass357.16
IUPAC Name3-[2-[2-(5-fluoro-2-pyridinyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-2-oxoethyl]-6-methylpyrimidin-4-one
SMILESCc1cc(=O)n(CC(=O)N2CC3CN(c4ccc(F)cn4)CC3C2)cn1
InChIInChI=1S/C18H20FN5O2/c1-12-4-17(25)24(11-21-12)10-18(26)23-8-13-6-22(7-14(13)9-23)16-3-2-15(19)5-20-16/h2-5,11,13-14H,6-10H2,1H3
InChIKeyWOHNRLKBZAJMAM-UHFFFAOYSA-N
XLogP0.68
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.39
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[2-[2-(5-fluoro-2-pyridinyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-2-oxoethyl]-6-methylpyrimidin-4-one with MolForge

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Related Compounds

3-[2-[2-(5-chloro-2-pyridinyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-2-oxoethyl]-5,6-dimethylpyrimidin-4-one
CID 163353307
6-methyl-3-[2-[2-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-2-oxoethyl]pyrimidin-4-one
CID 155976871
6-methyl-3-[2-[3-[(2-methyl-4-pyridinyl)oxy]azetidin-1-yl]-2-oxoethyl]pyrimidin-4-one
CID 155977356
5-(4,6-dimethylpyrimidin-2-yl)-2-(5-fluoro-2-pyridinyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 163352607
6-methyl-3-[2-oxo-2-[(3R)-3-(triazol-2-yl)pyrrolidin-1-yl]ethyl]pyrimidin-4-one
CID 124891828
6-methyl-3-[2-[4-[6-(2-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one
CID 121060045
5-(2-cyclopropyl-6-methylpyrimidin-4-yl)-2-(5-fluoro-2-pyridinyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 163354705
6-butyl-3-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one
CID 121063468
3-[2-[4-[(3-chloro-4-pyridinyl)oxymethyl]piperidin-1-yl]-2-oxoethyl]-6-methylpyrimidin-4-one
CID 154831232
6-methyl-3-[2-[4-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one
CID 122333139
6-methyl-3-[2-[4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one
CID 122347229
6-methyl-3-[2-[4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one
CID 122346973

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-(5-fluoro-2-pyridinyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-2-oxoethyl]-6-methylpyrimidin-4-one?
The IUPAC name of 3-[2-[2-(5-fluoro-2-pyridinyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-2-oxoethyl]-6-methylpyrimidin-4-one (CID 163358450) is 3-[2-[2-(5-fluoro-2-pyridinyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-2-oxoethyl]-6-methylpyrimidin-4-one.
What is the SMILES notation for 3-[2-[2-(5-fluoro-2-pyridinyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-2-oxoethyl]-6-methylpyrimidin-4-one?
The canonical SMILES for 3-[2-[2-(5-fluoro-2-pyridinyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-2-oxoethyl]-6-methylpyrimidin-4-one is Cc1cc(=O)n(CC(=O)N2CC3CN(c4ccc(F)cn4)CC3C2)cn1.
What is the InChIKey of 3-[2-[2-(5-fluoro-2-pyridinyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-2-oxoethyl]-6-methylpyrimidin-4-one?
The InChIKey is WOHNRLKBZAJMAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN5O2/c1-12-4-17(25)24(11-21-12)10-18(26)23-8-13-6-22(7-14(13)9-23)16-3-2-15(19)5-20-16/h2-5,11,13-14H,6-10H2,1H3.
What are the key properties of 3-[2-[2-(5-fluoro-2-pyridinyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-2-oxoethyl]-6-methylpyrimidin-4-one?
3-[2-[2-(5-fluoro-2-pyridinyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-2-oxoethyl]-6-methylpyrimidin-4-one has a molecular weight of 357.39 g/mol, XLogP of 0.68, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-(5-fluoro-2-pyridinyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-2-oxoethyl]-6-methylpyrimidin-4-one is sourced from PubChem (CID 163358450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).