7-fluoro-6-[1-[(3S)-3-[(6-methyl-3-pyridinyl)oxy]pyrrolidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine

C19H22FN3O3 — CID 146283756

IUPAC7-fluoro-6-[1-[(3S)-3-[(6-methyl-3-pyridinyl)oxy]pyrrolidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine
SMILESCc1ccc(O[C@H]2CCN(C(C)c3nc4c(cc3F)OCCO4)C2)cn1
InChIInChI=1S/C19H22FN3O3/c1-12-3-4-14(10-21-12)26-15-5-6-23(11-15)13(2)18-16(20)9-17-19(22-18)25-8-7-24-17/h3-4,9-10,13,15H,5-8,11H2,1-2H3/t13?,15-/m0/s1
InChIKeyHWKKBPLVRBRULD-WUJWULDRSA-N
MW359.40 g/mol
LogP2.91
Rot. Bonds4

About 7-fluoro-6-[1-[(3S)-3-[(6-methyl-3-pyridinyl)oxy]pyrrolidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine

7-fluoro-6-[1-[(3S)-3-[(6-methyl-3-pyridinyl)oxy]pyrrolidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine (PubChem CID 146283756) has the molecular formula C19H22FN3O3 and a molecular weight of 359.40 g/mol. Its IUPAC name is 7-fluoro-6-[1-[(3S)-3-[(6-methyl-3-pyridinyl)oxy]pyrrolidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine.

Molecular Properties

Compound Name7-fluoro-6-[1-[(3S)-3-[(6-methyl-3-pyridinyl)oxy]pyrrolidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine
PubChem CID146283756
Molecular FormulaC19H22FN3O3
Molecular Weight359.40 g/mol
Exact Mass359.16
IUPAC Name7-fluoro-6-[1-[(3S)-3-[(6-methyl-3-pyridinyl)oxy]pyrrolidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine
SMILESCc1ccc(O[C@H]2CCN(C(C)c3nc4c(cc3F)OCCO4)C2)cn1
InChIInChI=1S/C19H22FN3O3/c1-12-3-4-14(10-21-12)26-15-5-6-23(11-15)13(2)18-16(20)9-17-19(22-18)25-8-7-24-17/h3-4,9-10,13,15H,5-8,11H2,1-2H3/t13?,15-/m0/s1
InChIKeyHWKKBPLVRBRULD-WUJWULDRSA-N
XLogP2.91
TPSA56.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.40
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-6-[1-[(3S)-3-[(6-methyl-3-pyridinyl)oxy]pyrrolidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine?
The IUPAC name of 7-fluoro-6-[1-[(3S)-3-[(6-methyl-3-pyridinyl)oxy]pyrrolidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine (CID 146283756) is 7-fluoro-6-[1-[(3S)-3-[(6-methyl-3-pyridinyl)oxy]pyrrolidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine.
What is the SMILES notation for 7-fluoro-6-[1-[(3S)-3-[(6-methyl-3-pyridinyl)oxy]pyrrolidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine?
The canonical SMILES for 7-fluoro-6-[1-[(3S)-3-[(6-methyl-3-pyridinyl)oxy]pyrrolidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine is Cc1ccc(O[C@H]2CCN(C(C)c3nc4c(cc3F)OCCO4)C2)cn1.
What is the InChIKey of 7-fluoro-6-[1-[(3S)-3-[(6-methyl-3-pyridinyl)oxy]pyrrolidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine?
The InChIKey is HWKKBPLVRBRULD-WUJWULDRSA-N. The full InChI is InChI=1S/C19H22FN3O3/c1-12-3-4-14(10-21-12)26-15-5-6-23(11-15)13(2)18-16(20)9-17-19(22-18)25-8-7-24-17/h3-4,9-10,13,15H,5-8,11H2,1-2H3/t13?,15-/m0/s1.
What are the key properties of 7-fluoro-6-[1-[(3S)-3-[(6-methyl-3-pyridinyl)oxy]pyrrolidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine?
7-fluoro-6-[1-[(3S)-3-[(6-methyl-3-pyridinyl)oxy]pyrrolidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine has a molecular weight of 359.40 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-6-[1-[(3S)-3-[(6-methyl-3-pyridinyl)oxy]pyrrolidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine is sourced from PubChem (CID 146283756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).