6-[5-(3-fluoro-2-pyridinyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]pyridine-3-carbonitrile

C17H16FN5 — CID 163348113

IUPAC6-[5-(3-fluoro-2-pyridinyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]pyridine-3-carbonitrile
SMILESN#Cc1ccc(N2CC3CN(c4ncccc4F)CC3C2)nc1
InChIInChI=1S/C17H16FN5/c18-15-2-1-5-20-17(15)23-10-13-8-22(9-14(13)11-23)16-4-3-12(6-19)7-21-16/h1-5,7,13-14H,8-11H2
InChIKeyWPMVJNHJDGIWFV-UHFFFAOYSA-N
MW309.35 g/mol
LogP2.06
Rot. Bonds2

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

6-[5-(3-fluoro-2-pyridinyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]pyridine-3-carbonitrile (PubChem CID 163348113) has the molecular formula C17H16FN5 and a molecular weight of 309.35 g/mol. Its IUPAC name is 6-[5-(3-fluoro-2-pyridinyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[5-(3-fluoro-2-pyridinyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]pyridine-3-carbonitrile
PubChem CID163348113
Molecular FormulaC17H16FN5
Molecular Weight309.35 g/mol
Exact Mass309.14
IUPAC Name6-[5-(3-fluoro-2-pyridinyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]pyridine-3-carbonitrile
SMILESN#Cc1ccc(N2CC3CN(c4ncccc4F)CC3C2)nc1
InChIInChI=1S/C17H16FN5/c18-15-2-1-5-20-17(15)23-10-13-8-22(9-14(13)11-23)16-4-3-12(6-19)7-21-16/h1-5,7,13-14H,8-11H2
InChIKeyWPMVJNHJDGIWFV-UHFFFAOYSA-N
XLogP2.06
TPSA56.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.35
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-(5-pyridin-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl)pyridine-3-carbonitrile
CID 163351951
2-(3-fluoro-2-pyridinyl)-5-(5-fluoropyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 163343479
6-[5-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]pyridine-3-carbonitrile
CID 146074598
6-(5-thieno[3,2-d]pyrimidin-4-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl)pyridine-3-carbonitrile
CID 146079895
6-[5-(9-ethylpurin-6-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]pyridine-3-carbonitrile
CID 155980586
6-[5-(3,3-difluorocyclobutanecarbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]pyridine-3-carbonitrile
CID 146080045
6-[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]pyridin-3-amine
CID 62734933
6-[(3aS,6aR)-4-oxo-5-phenyl-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-2-yl]pyridine-3-carbonitrile
CID 124784298
6-[5-(1-phenylcyclopropanecarbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]pyridine-3-carbonitrile
CID 146074963
[(3R,4R)-1-(5-cyano-2-pyridinyl)-4-(2,4,5-trifluorophenyl)piperidin-3-yl]azanium
CID 91935953
6-[3-(4-methylpiperazin-1-yl)azetidin-1-yl]pyridine-3-carbonitrile
CID 126891739
6-(3-morpholin-4-ylazetidin-1-yl)pyridine-3-carbonitrile
CID 175647980

Frequently Asked Questions

What is the IUPAC name of 6-[5-(3-fluoro-2-pyridinyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]pyridine-3-carbonitrile?
The IUPAC name of 6-[5-(3-fluoro-2-pyridinyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]pyridine-3-carbonitrile (CID 163348113) is 6-[5-(3-fluoro-2-pyridinyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[5-(3-fluoro-2-pyridinyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]pyridine-3-carbonitrile?
The canonical SMILES for 6-[5-(3-fluoro-2-pyridinyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]pyridine-3-carbonitrile is N#Cc1ccc(N2CC3CN(c4ncccc4F)CC3C2)nc1.
What is the InChIKey of 6-[5-(3-fluoro-2-pyridinyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]pyridine-3-carbonitrile?
The InChIKey is WPMVJNHJDGIWFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN5/c18-15-2-1-5-20-17(15)23-10-13-8-22(9-14(13)11-23)16-4-3-12(6-19)7-21-16/h1-5,7,13-14H,8-11H2.
What are the key properties of 6-[5-(3-fluoro-2-pyridinyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]pyridine-3-carbonitrile?
6-[5-(3-fluoro-2-pyridinyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]pyridine-3-carbonitrile has a molecular weight of 309.35 g/mol, XLogP of 2.06, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(3-fluoro-2-pyridinyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 163348113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).