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

C19H22FN3O4 — CID 156738718

IUPAC7-fluoro-6-[[(2S)-4-[(6-methoxy-3-pyridinyl)oxy]-2-methylpyrrolidin-1-yl]methyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine
SMILESCOc1ccc(OC2C[C@H](C)N(Cc3nc4c(cc3F)OCCO4)C2)cn1
InChIInChI=1S/C19H22FN3O4/c1-12-7-14(27-13-3-4-18(24-2)21-9-13)10-23(12)11-16-15(20)8-17-19(22-16)26-6-5-25-17/h3-4,8-9,12,14H,5-7,10-11H2,1-2H3/t12-,14?/m0/s1
InChIKeyMXPSIMYQSDVFLR-NBFOIZRFSA-N
MW375.40 g/mol
LogP2.44
Rot. Bonds5

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

7-fluoro-6-[[(2S)-4-[(6-methoxy-3-pyridinyl)oxy]-2-methylpyrrolidin-1-yl]methyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine (PubChem CID 156738718) has the molecular formula C19H22FN3O4 and a molecular weight of 375.40 g/mol. Its IUPAC name is 7-fluoro-6-[[(2S)-4-[(6-methoxy-3-pyridinyl)oxy]-2-methylpyrrolidin-1-yl]methyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine.

Molecular Properties

Compound Name7-fluoro-6-[[(2S)-4-[(6-methoxy-3-pyridinyl)oxy]-2-methylpyrrolidin-1-yl]methyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine
PubChem CID156738718
Molecular FormulaC19H22FN3O4
Molecular Weight375.40 g/mol
Exact Mass375.16
IUPAC Name7-fluoro-6-[[(2S)-4-[(6-methoxy-3-pyridinyl)oxy]-2-methylpyrrolidin-1-yl]methyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine
SMILESCOc1ccc(OC2C[C@H](C)N(Cc3nc4c(cc3F)OCCO4)C2)cn1
InChIInChI=1S/C19H22FN3O4/c1-12-7-14(27-13-3-4-18(24-2)21-9-13)10-23(12)11-16-15(20)8-17-19(22-16)26-6-5-25-17/h3-4,8-9,12,14H,5-7,10-11H2,1-2H3/t12-,14?/m0/s1
InChIKeyMXPSIMYQSDVFLR-NBFOIZRFSA-N
XLogP2.44
TPSA65.94 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.40
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 7-fluoro-6-[[(2S)-4-[(6-methoxy-3-pyridinyl)oxy]-2-methylpyrrolidin-1-yl]methyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine with MolForge

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Related Compounds

2-Piperdin-1-ylmethyl-5-(3-piperdin-1-yl-propoxy)-pyridine
CID 11174563
4-[5-(3-Piperidin-1-yl-propoxy)-pyridin-2-ylmethyl]-morpholine
CID 11638322
(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine
CID 137652873
(3R)-3-[(2S)-1-methylpyrrolidin-2-yl]-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine
CID 137637512
(3S)-3-[(2S)-1-methylpyrrolidin-2-yl]-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine
CID 137649750
1-[(3S)-3-[[4-(5,6-dimethoxy-3-pyridinyl)-2,3-dihydro-1,4-benzoxazin-6-yl]oxy]pyrrolidin-1-yl]propan-1-one
CID 89646842
(3R,3aS,7aR)-3-[(3-fluoro-2-pyridinyl)oxy]-1-(pyridin-2-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole
CID 97388355
(3R,5S)-7-(pyridin-2-ylmethyl)-3-pyridin-2-yloxy-1-oxa-7-azaspiro[4.4]nonane
CID 97420051
(7R,8aS)-2-(pyridin-2-ylmethyl)-7-pyridin-3-yloxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 97458370
(7R,8aS)-7-(3-fluorophenoxy)-2-(pyridin-2-ylmethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 97458466
(7R,8aS)-2-[(6-methyl-2-pyridinyl)methyl]-7-pyridin-3-yloxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 98777095
(3S)-3-[(2S)-1-methylpyrrolidin-2-yl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine
CID 137639020

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-6-[[(2S)-4-[(6-methoxy-3-pyridinyl)oxy]-2-methylpyrrolidin-1-yl]methyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine?
The IUPAC name of 7-fluoro-6-[[(2S)-4-[(6-methoxy-3-pyridinyl)oxy]-2-methylpyrrolidin-1-yl]methyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine (CID 156738718) is 7-fluoro-6-[[(2S)-4-[(6-methoxy-3-pyridinyl)oxy]-2-methylpyrrolidin-1-yl]methyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine.
What is the SMILES notation for 7-fluoro-6-[[(2S)-4-[(6-methoxy-3-pyridinyl)oxy]-2-methylpyrrolidin-1-yl]methyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine?
The canonical SMILES for 7-fluoro-6-[[(2S)-4-[(6-methoxy-3-pyridinyl)oxy]-2-methylpyrrolidin-1-yl]methyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine is COc1ccc(OC2C[C@H](C)N(Cc3nc4c(cc3F)OCCO4)C2)cn1.
What is the InChIKey of 7-fluoro-6-[[(2S)-4-[(6-methoxy-3-pyridinyl)oxy]-2-methylpyrrolidin-1-yl]methyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine?
The InChIKey is MXPSIMYQSDVFLR-NBFOIZRFSA-N. The full InChI is InChI=1S/C19H22FN3O4/c1-12-7-14(27-13-3-4-18(24-2)21-9-13)10-23(12)11-16-15(20)8-17-19(22-16)26-6-5-25-17/h3-4,8-9,12,14H,5-7,10-11H2,1-2H3/t12-,14?/m0/s1.
What are the key properties of 7-fluoro-6-[[(2S)-4-[(6-methoxy-3-pyridinyl)oxy]-2-methylpyrrolidin-1-yl]methyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine?
7-fluoro-6-[[(2S)-4-[(6-methoxy-3-pyridinyl)oxy]-2-methylpyrrolidin-1-yl]methyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine has a molecular weight of 375.40 g/mol, XLogP of 2.44, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-6-[[(2S)-4-[(6-methoxy-3-pyridinyl)oxy]-2-methylpyrrolidin-1-yl]methyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine is sourced from PubChem (CID 156738718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).