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

C21H26FN3O2 — CID 162464302

IUPAC6-[(1R)-1-[(3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]pyrrolidin-1-yl]ethyl]-7-fluoro-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine
SMILESCc1cc(C[C@@H]2CCN([C@H](C)c3nc4c(cc3F)OCCO4)C2)cc(C)n1
InChIInChI=1S/C21H26FN3O2/c1-13-8-17(9-14(2)23-13)10-16-4-5-25(12-16)15(3)20-18(22)11-19-21(24-20)27-7-6-26-19/h8-9,11,15-16H,4-7,10,12H2,1-3H3/t15-,16+/m1/s1
InChIKeyRGYRSBZIMKNEAK-CVEARBPZSA-N
MW371.46 g/mol
LogP3.63
Rot. Bonds4

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

6-[(1R)-1-[(3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]pyrrolidin-1-yl]ethyl]-7-fluoro-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine (PubChem CID 162464302) has the molecular formula C21H26FN3O2 and a molecular weight of 371.46 g/mol. Its IUPAC name is 6-[(1R)-1-[(3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]pyrrolidin-1-yl]ethyl]-7-fluoro-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine.

Molecular Properties

Compound Name6-[(1R)-1-[(3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]pyrrolidin-1-yl]ethyl]-7-fluoro-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine
PubChem CID162464302
Molecular FormulaC21H26FN3O2
Molecular Weight371.46 g/mol
Exact Mass371.20
IUPAC Name6-[(1R)-1-[(3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]pyrrolidin-1-yl]ethyl]-7-fluoro-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine
SMILESCc1cc(C[C@@H]2CCN([C@H](C)c3nc4c(cc3F)OCCO4)C2)cc(C)n1
InChIInChI=1S/C21H26FN3O2/c1-13-8-17(9-14(2)23-13)10-16-4-5-25(12-16)15(3)20-18(22)11-19-21(24-20)27-7-6-26-19/h8-9,11,15-16H,4-7,10,12H2,1-3H3/t15-,16+/m1/s1
InChIKeyRGYRSBZIMKNEAK-CVEARBPZSA-N
XLogP3.63
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-[(1R)-1-[(3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]pyrrolidin-1-yl]ethyl]-7-fluoro-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine with MolForge

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Related Compounds

6-[1-[(3R)-3-[(2,6-dimethyl-4-pyridinyl)oxymethyl]pyrrolidin-1-yl]ethyl]-7-fluoro-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine
CID 162464297
4-[[(3R)-1-[(1R)-1-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]pyrrolidin-3-yl]methyl]-2,6-dimethylpyridine
CID 146283801
5-fluoro-6-[(1R)-1-[(3S)-3-[(2-methoxy-6-methyl-4-pyridinyl)methyl]pyrrolidin-1-yl]ethyl]-2,3-dihydrofuro[2,3-b]pyridine
CID 146283789
5-fluoro-6-[(1S)-1-[(3S)-3-[(2-methoxy-6-methyl-4-pyridinyl)methyl]pyrrolidin-1-yl]ethyl]-2,3-dihydrofuro[2,3-b]pyridine;methane;sulfane
CID 159062093
6-[1-[(3R)-3-[(2,6-dimethyl-4-pyridinyl)oxy]pyrrolidin-1-yl]ethyl]-7-fluoro-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine
CID 162464304
6-[(1R)-1-[(3S)-3-[(2,6-dimethyl-4-pyridinyl)methoxy]piperidin-1-yl]ethyl]-7-fluoro-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine
CID 153376532
4-[[(3R)-1-[(1R)-1-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]pyrrolidin-3-yl]methyl]-2-methoxy-6-methylpyridine
CID 146283795
4-[[(3S)-1-[(1S)-1-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]pyrrolidin-3-yl]methyl]-2-methoxy-6-methylpyridine
CID 163887763
6-[1-[(3R)-3-(2,6-dimethyl-4-pyridinyl)piperidin-1-yl]ethyl]-7-fluoro-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine
CID 146286128
2-[[(3R)-1-[(1R)-1-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]pyrrolidin-3-yl]methyl]-3,5-dimethylpyrazine
CID 146283723
6-[1-[3-[[2-methyl-6-(trifluoromethoxy)-4-pyridinyl]methyl]piperidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine
CID 146286208
6-[1-[(3R,4S)-4-[(2,6-dimethyl-4-pyridinyl)methyl]-3-methylpiperidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine
CID 166727421

Frequently Asked Questions

What is the IUPAC name of 6-[(1R)-1-[(3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]pyrrolidin-1-yl]ethyl]-7-fluoro-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine?
The IUPAC name of 6-[(1R)-1-[(3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]pyrrolidin-1-yl]ethyl]-7-fluoro-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine (CID 162464302) is 6-[(1R)-1-[(3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]pyrrolidin-1-yl]ethyl]-7-fluoro-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine.
What is the SMILES notation for 6-[(1R)-1-[(3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]pyrrolidin-1-yl]ethyl]-7-fluoro-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine?
The canonical SMILES for 6-[(1R)-1-[(3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]pyrrolidin-1-yl]ethyl]-7-fluoro-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine is Cc1cc(C[C@@H]2CCN([C@H](C)c3nc4c(cc3F)OCCO4)C2)cc(C)n1.
What is the InChIKey of 6-[(1R)-1-[(3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]pyrrolidin-1-yl]ethyl]-7-fluoro-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine?
The InChIKey is RGYRSBZIMKNEAK-CVEARBPZSA-N. The full InChI is InChI=1S/C21H26FN3O2/c1-13-8-17(9-14(2)23-13)10-16-4-5-25(12-16)15(3)20-18(22)11-19-21(24-20)27-7-6-26-19/h8-9,11,15-16H,4-7,10,12H2,1-3H3/t15-,16+/m1/s1.
What are the key properties of 6-[(1R)-1-[(3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]pyrrolidin-1-yl]ethyl]-7-fluoro-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine?
6-[(1R)-1-[(3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]pyrrolidin-1-yl]ethyl]-7-fluoro-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine has a molecular weight of 371.46 g/mol, XLogP of 3.63, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1R)-1-[(3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]pyrrolidin-1-yl]ethyl]-7-fluoro-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine is sourced from PubChem (CID 162464302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).