(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-[2-(5-fluoropyrimidin-2-yl)-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrol-7a-yl]methanone

C17H20F2N4O2 — CID 154786025

IUPAC(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-[2-(5-fluoropyrimidin-2-yl)-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrol-7a-yl]methanone
SMILESO=C(N1CCC=C(F)C1)C12CCOCC1CN(c1ncc(F)cn1)C2
InChIInChI=1S/C17H20F2N4O2/c18-13-2-1-4-22(9-13)15(24)17-3-5-25-10-12(17)8-23(11-17)16-20-6-14(19)7-21-16/h2,6-7,12H,1,3-5,8-11H2
InChIKeyMBGGKTQNNFNCAO-UHFFFAOYSA-N
MW350.37 g/mol
LogP1.54
Rot. Bonds2

About (5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-[2-(5-fluoropyrimidin-2-yl)-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrol-7a-yl]methanone

(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-[2-(5-fluoropyrimidin-2-yl)-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrol-7a-yl]methanone (PubChem CID 154786025) has the molecular formula C17H20F2N4O2 and a molecular weight of 350.37 g/mol. Its IUPAC name is (5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-[2-(5-fluoropyrimidin-2-yl)-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrol-7a-yl]methanone.

Molecular Properties

Compound Name(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-[2-(5-fluoropyrimidin-2-yl)-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrol-7a-yl]methanone
PubChem CID154786025
Molecular FormulaC17H20F2N4O2
Molecular Weight350.37 g/mol
Exact Mass350.16
IUPAC Name(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-[2-(5-fluoropyrimidin-2-yl)-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrol-7a-yl]methanone
SMILESO=C(N1CCC=C(F)C1)C12CCOCC1CN(c1ncc(F)cn1)C2
InChIInChI=1S/C17H20F2N4O2/c18-13-2-1-4-22(9-13)15(24)17-3-5-25-10-12(17)8-23(11-17)16-20-6-14(19)7-21-16/h2,6-7,12H,1,3-5,8-11H2
InChIKeyMBGGKTQNNFNCAO-UHFFFAOYSA-N
XLogP1.54
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-[2-(5-fluoropyrimidin-2-yl)-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrol-7a-yl]methanone?
The IUPAC name of (5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-[2-(5-fluoropyrimidin-2-yl)-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrol-7a-yl]methanone (CID 154786025) is (5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-[2-(5-fluoropyrimidin-2-yl)-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrol-7a-yl]methanone.
What is the SMILES notation for (5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-[2-(5-fluoropyrimidin-2-yl)-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrol-7a-yl]methanone?
The canonical SMILES for (5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-[2-(5-fluoropyrimidin-2-yl)-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrol-7a-yl]methanone is O=C(N1CCC=C(F)C1)C12CCOCC1CN(c1ncc(F)cn1)C2.
What is the InChIKey of (5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-[2-(5-fluoropyrimidin-2-yl)-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrol-7a-yl]methanone?
The InChIKey is MBGGKTQNNFNCAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F2N4O2/c18-13-2-1-4-22(9-13)15(24)17-3-5-25-10-12(17)8-23(11-17)16-20-6-14(19)7-21-16/h2,6-7,12H,1,3-5,8-11H2.
What are the key properties of (5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-[2-(5-fluoropyrimidin-2-yl)-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrol-7a-yl]methanone?
(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-[2-(5-fluoropyrimidin-2-yl)-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrol-7a-yl]methanone has a molecular weight of 350.37 g/mol, XLogP of 1.54, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-[2-(5-fluoropyrimidin-2-yl)-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrol-7a-yl]methanone is sourced from PubChem (CID 154786025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).