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

C16H17FN4 — CID 154829521

IUPAC1-(5-fluoro-2-pyridinyl)-5-pyridin-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole
SMILESFc1ccc(N2CCC3CN(c4ccccn4)CC32)nc1
InChIInChI=1S/C16H17FN4/c17-13-4-5-16(19-9-13)21-8-6-12-10-20(11-14(12)21)15-3-1-2-7-18-15/h1-5,7,9,12,14H,6,8,10-11H2
InChIKeyVYZSQRJLHUGAKO-UHFFFAOYSA-N
MW284.34 g/mol
LogP2.33
Rot. Bonds2

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

1-(5-fluoro-2-pyridinyl)-5-pyridin-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole (PubChem CID 154829521) has the molecular formula C16H17FN4 and a molecular weight of 284.34 g/mol. Its IUPAC name is 1-(5-fluoro-2-pyridinyl)-5-pyridin-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole.

Molecular Properties

Compound Name1-(5-fluoro-2-pyridinyl)-5-pyridin-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole
PubChem CID154829521
Molecular FormulaC16H17FN4
Molecular Weight284.34 g/mol
Exact Mass284.14
IUPAC Name1-(5-fluoro-2-pyridinyl)-5-pyridin-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole
SMILESFc1ccc(N2CCC3CN(c4ccccn4)CC32)nc1
InChIInChI=1S/C16H17FN4/c17-13-4-5-16(19-9-13)21-8-6-12-10-20(11-14(12)21)15-3-1-2-7-18-15/h1-5,7,9,12,14H,6,8,10-11H2
InChIKeyVYZSQRJLHUGAKO-UHFFFAOYSA-N
XLogP2.33
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-pyridinyl)-5-pyridin-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole?
The IUPAC name of 1-(5-fluoro-2-pyridinyl)-5-pyridin-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole (CID 154829521) is 1-(5-fluoro-2-pyridinyl)-5-pyridin-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole.
What is the SMILES notation for 1-(5-fluoro-2-pyridinyl)-5-pyridin-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole?
The canonical SMILES for 1-(5-fluoro-2-pyridinyl)-5-pyridin-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole is Fc1ccc(N2CCC3CN(c4ccccn4)CC32)nc1.
What is the InChIKey of 1-(5-fluoro-2-pyridinyl)-5-pyridin-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole?
The InChIKey is VYZSQRJLHUGAKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN4/c17-13-4-5-16(19-9-13)21-8-6-12-10-20(11-14(12)21)15-3-1-2-7-18-15/h1-5,7,9,12,14H,6,8,10-11H2.
What are the key properties of 1-(5-fluoro-2-pyridinyl)-5-pyridin-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole?
1-(5-fluoro-2-pyridinyl)-5-pyridin-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole has a molecular weight of 284.34 g/mol, XLogP of 2.33, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-pyridinyl)-5-pyridin-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole is sourced from PubChem (CID 154829521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).