6-[3-[[4-chloro-2-(6-methyl-2-pyridinyl)phenoxy]methyl]azetidine-1-carbonyl]-7-fluoro-4H-chromen-3-one

C26H22ClFN2O4 — CID 152856609

IUPAC6-[3-[[4-chloro-2-(6-methyl-2-pyridinyl)phenoxy]methyl]azetidine-1-carbonyl]-7-fluoro-4H-chromen-3-one
SMILESCc1cccc(-c2cc(Cl)ccc2OCC2CN(C(=O)c3cc4c(cc3F)OCC(=O)C4)C2)n1
InChIInChI=1S/C26H22ClFN2O4/c1-15-3-2-4-23(29-15)21-9-18(27)5-6-24(21)33-13-16-11-30(12-16)26(32)20-8-17-7-19(31)14-34-25(17)10-22(20)28/h2-6,8-10,16H,7,11-14H2,1H3
InChIKeyTWRWAAUKYOPYQM-UHFFFAOYSA-N
MW480.92 g/mol
LogP4.50
Rot. Bonds5

About 6-[3-[[4-chloro-2-(6-methyl-2-pyridinyl)phenoxy]methyl]azetidine-1-carbonyl]-7-fluoro-4H-chromen-3-one

6-[3-[[4-chloro-2-(6-methyl-2-pyridinyl)phenoxy]methyl]azetidine-1-carbonyl]-7-fluoro-4H-chromen-3-one (PubChem CID 152856609) has the molecular formula C26H22ClFN2O4 and a molecular weight of 480.92 g/mol. Its IUPAC name is 6-[3-[[4-chloro-2-(6-methyl-2-pyridinyl)phenoxy]methyl]azetidine-1-carbonyl]-7-fluoro-4H-chromen-3-one.

Molecular Properties

Compound Name6-[3-[[4-chloro-2-(6-methyl-2-pyridinyl)phenoxy]methyl]azetidine-1-carbonyl]-7-fluoro-4H-chromen-3-one
PubChem CID152856609
Molecular FormulaC26H22ClFN2O4
Molecular Weight480.92 g/mol
Exact Mass480.13
IUPAC Name6-[3-[[4-chloro-2-(6-methyl-2-pyridinyl)phenoxy]methyl]azetidine-1-carbonyl]-7-fluoro-4H-chromen-3-one
SMILESCc1cccc(-c2cc(Cl)ccc2OCC2CN(C(=O)c3cc4c(cc3F)OCC(=O)C4)C2)n1
InChIInChI=1S/C26H22ClFN2O4/c1-15-3-2-4-23(29-15)21-9-18(27)5-6-24(21)33-13-16-11-30(12-16)26(32)20-8-17-7-19(31)14-34-25(17)10-22(20)28/h2-6,8-10,16H,7,11-14H2,1H3
InChIKeyTWRWAAUKYOPYQM-UHFFFAOYSA-N
XLogP4.50
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.92
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-[3-[[4-chloro-2-(6-methyl-2-pyridinyl)phenoxy]methyl]azetidine-1-carbonyl]-7-fluoro-4H-chromen-3-one with MolForge

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Launch Full Analysis

Related Compounds

6-[3-[[4-chloro-2-(2-methyl-3-pyridinyl)phenoxy]methyl]azetidine-1-carbonyl]-7-fluoro-4H-chromen-3-one
CID 160770811
6-[3-[[4-chloro-2-(2-chloro-4-pyridinyl)phenoxy]methyl]azetidine-1-carbonyl]-7-fluoro-4H-chromen-3-one
CID 159720553
7-fluoro-6-[3-[[2-fluoro-4-(6-methyl-3-pyridinyl)phenoxy]methyl]azetidine-1-carbonyl]-4H-chromen-3-one
CID 159963140
7-fluoro-6-[3-[[2-fluoro-4-(2-methyl-4-pyridinyl)phenoxy]methyl]azetidine-1-carbonyl]-4H-chromen-3-one
CID 149273395
7-fluoro-6-[3-[(2-methyl-4-pyridin-2-yl-3-pyridinyl)oxymethyl]azetidine-1-carbonyl]-4H-chromen-3-one
CID 148525274
7-fluoro-6-[3-[[2-fluoro-4-(2-fluoro-4-pyridinyl)phenoxy]methyl]azetidine-1-carbonyl]-4H-chromen-3-one
CID 158478256
6-[3-[[4-chloro-2-(6-methyl-3-pyridinyl)phenoxy]methyl]azetidine-1-carbonyl]-7-fluoro-4H-1,4-benzoxazin-3-one
CID 134226324
2-chloro-4-[[1-(7-fluoro-3-oxo-4H-chromene-6-carbonyl)azetidin-3-yl]methoxy]benzonitrile
CID 147938992
6-[3-[[4-chloro-2-(1-methylpyrazol-3-yl)phenoxy]methyl]azetidine-1-carbonyl]-7-fluoro-4H-1,4-benzoxazin-3-one
CID 134226513
7-fluoro-6-[3-(phenylmethoxymethyl)azetidine-1-carbonyl]-4H-chromen-3-one
CID 158467768
6-[3-[1-(4-chloro-2-fluorophenoxy)-2-methoxyethyl]azetidine-1-carbonyl]-7-fluoro-4H-chromen-3-one
CID 159341680
6-[3-[[4-chloro-2-(2-ethyl-3-pyridinyl)phenoxy]methyl]azetidine-1-carbonyl]-7-fluoro-4H-1,4-benzoxazin-3-one
CID 134226347

Frequently Asked Questions

What is the IUPAC name of 6-[3-[[4-chloro-2-(6-methyl-2-pyridinyl)phenoxy]methyl]azetidine-1-carbonyl]-7-fluoro-4H-chromen-3-one?
The IUPAC name of 6-[3-[[4-chloro-2-(6-methyl-2-pyridinyl)phenoxy]methyl]azetidine-1-carbonyl]-7-fluoro-4H-chromen-3-one (CID 152856609) is 6-[3-[[4-chloro-2-(6-methyl-2-pyridinyl)phenoxy]methyl]azetidine-1-carbonyl]-7-fluoro-4H-chromen-3-one.
What is the SMILES notation for 6-[3-[[4-chloro-2-(6-methyl-2-pyridinyl)phenoxy]methyl]azetidine-1-carbonyl]-7-fluoro-4H-chromen-3-one?
The canonical SMILES for 6-[3-[[4-chloro-2-(6-methyl-2-pyridinyl)phenoxy]methyl]azetidine-1-carbonyl]-7-fluoro-4H-chromen-3-one is Cc1cccc(-c2cc(Cl)ccc2OCC2CN(C(=O)c3cc4c(cc3F)OCC(=O)C4)C2)n1.
What is the InChIKey of 6-[3-[[4-chloro-2-(6-methyl-2-pyridinyl)phenoxy]methyl]azetidine-1-carbonyl]-7-fluoro-4H-chromen-3-one?
The InChIKey is TWRWAAUKYOPYQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22ClFN2O4/c1-15-3-2-4-23(29-15)21-9-18(27)5-6-24(21)33-13-16-11-30(12-16)26(32)20-8-17-7-19(31)14-34-25(17)10-22(20)28/h2-6,8-10,16H,7,11-14H2,1H3.
What are the key properties of 6-[3-[[4-chloro-2-(6-methyl-2-pyridinyl)phenoxy]methyl]azetidine-1-carbonyl]-7-fluoro-4H-chromen-3-one?
6-[3-[[4-chloro-2-(6-methyl-2-pyridinyl)phenoxy]methyl]azetidine-1-carbonyl]-7-fluoro-4H-chromen-3-one has a molecular weight of 480.92 g/mol, XLogP of 4.50, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[[4-chloro-2-(6-methyl-2-pyridinyl)phenoxy]methyl]azetidine-1-carbonyl]-7-fluoro-4H-chromen-3-one is sourced from PubChem (CID 152856609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).