6-[1-[3-(5,6-dimethylpyrazin-2-yl)oxypyrrolidin-1-yl]ethyl]-7-fluoro-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine

C19H23FN4O3 — CID 146283826

IUPAC6-[1-[3-(5,6-dimethylpyrazin-2-yl)oxypyrrolidin-1-yl]ethyl]-7-fluoro-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine
SMILESCc1ncc(OC2CCN(C(C)c3nc4c(cc3F)OCCO4)C2)nc1C
InChIInChI=1S/C19H23FN4O3/c1-11-12(2)22-17(9-21-11)27-14-4-5-24(10-14)13(3)18-15(20)8-16-19(23-18)26-7-6-25-16/h8-9,13-14H,4-7,10H2,1-3H3
InChIKeyZXNZOTXFKAANTI-UHFFFAOYSA-N
MW374.42 g/mol
LogP2.61
Rot. Bonds4

About 6-[1-[3-(5,6-dimethylpyrazin-2-yl)oxypyrrolidin-1-yl]ethyl]-7-fluoro-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine

6-[1-[3-(5,6-dimethylpyrazin-2-yl)oxypyrrolidin-1-yl]ethyl]-7-fluoro-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine (PubChem CID 146283826) has the molecular formula C19H23FN4O3 and a molecular weight of 374.42 g/mol. Its IUPAC name is 6-[1-[3-(5,6-dimethylpyrazin-2-yl)oxypyrrolidin-1-yl]ethyl]-7-fluoro-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine.

Molecular Properties

Compound Name6-[1-[3-(5,6-dimethylpyrazin-2-yl)oxypyrrolidin-1-yl]ethyl]-7-fluoro-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine
PubChem CID146283826
Molecular FormulaC19H23FN4O3
Molecular Weight374.42 g/mol
Exact Mass374.18
IUPAC Name6-[1-[3-(5,6-dimethylpyrazin-2-yl)oxypyrrolidin-1-yl]ethyl]-7-fluoro-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine
SMILESCc1ncc(OC2CCN(C(C)c3nc4c(cc3F)OCCO4)C2)nc1C
InChIInChI=1S/C19H23FN4O3/c1-11-12(2)22-17(9-21-11)27-14-4-5-24(10-14)13(3)18-15(20)8-16-19(23-18)26-7-6-25-16/h8-9,13-14H,4-7,10H2,1-3H3
InChIKeyZXNZOTXFKAANTI-UHFFFAOYSA-N
XLogP2.61
TPSA69.60 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[1-[3-(5,6-dimethylpyrazin-2-yl)oxypyrrolidin-1-yl]ethyl]-7-fluoro-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine?
The IUPAC name of 6-[1-[3-(5,6-dimethylpyrazin-2-yl)oxypyrrolidin-1-yl]ethyl]-7-fluoro-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine (CID 146283826) is 6-[1-[3-(5,6-dimethylpyrazin-2-yl)oxypyrrolidin-1-yl]ethyl]-7-fluoro-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine.
What is the SMILES notation for 6-[1-[3-(5,6-dimethylpyrazin-2-yl)oxypyrrolidin-1-yl]ethyl]-7-fluoro-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine?
The canonical SMILES for 6-[1-[3-(5,6-dimethylpyrazin-2-yl)oxypyrrolidin-1-yl]ethyl]-7-fluoro-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine is Cc1ncc(OC2CCN(C(C)c3nc4c(cc3F)OCCO4)C2)nc1C.
What is the InChIKey of 6-[1-[3-(5,6-dimethylpyrazin-2-yl)oxypyrrolidin-1-yl]ethyl]-7-fluoro-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine?
The InChIKey is ZXNZOTXFKAANTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O3/c1-11-12(2)22-17(9-21-11)27-14-4-5-24(10-14)13(3)18-15(20)8-16-19(23-18)26-7-6-25-16/h8-9,13-14H,4-7,10H2,1-3H3.
What are the key properties of 6-[1-[3-(5,6-dimethylpyrazin-2-yl)oxypyrrolidin-1-yl]ethyl]-7-fluoro-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine?
6-[1-[3-(5,6-dimethylpyrazin-2-yl)oxypyrrolidin-1-yl]ethyl]-7-fluoro-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine has a molecular weight of 374.42 g/mol, XLogP of 2.61, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[3-(5,6-dimethylpyrazin-2-yl)oxypyrrolidin-1-yl]ethyl]-7-fluoro-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine is sourced from PubChem (CID 146283826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).