[3-[(5-chloro-2-pyridinyl)oxy]azetidin-1-yl]-(6-methoxy-1H-indol-2-yl)methanone

C18H16ClN3O3 — CID 122248470

IUPAC[3-[(5-chloro-2-pyridinyl)oxy]azetidin-1-yl]-(6-methoxy-1H-indol-2-yl)methanone
SMILESCOc1ccc2cc(C(=O)N3CC(Oc4ccc(Cl)cn4)C3)[nH]c2c1
InChIInChI=1S/C18H16ClN3O3/c1-24-13-4-2-11-6-16(21-15(11)7-13)18(23)22-9-14(10-22)25-17-5-3-12(19)8-20-17/h2-8,14,21H,9-10H2,1H3
InChIKeyPAWKCTMCTOTKJD-UHFFFAOYSA-N
MW357.80 g/mol
LogP3.13
Rot. Bonds4

About [3-[(5-chloro-2-pyridinyl)oxy]azetidin-1-yl]-(6-methoxy-1H-indol-2-yl)methanone

[3-[(5-chloro-2-pyridinyl)oxy]azetidin-1-yl]-(6-methoxy-1H-indol-2-yl)methanone (PubChem CID 122248470) has the molecular formula C18H16ClN3O3 and a molecular weight of 357.80 g/mol. Its IUPAC name is [3-[(5-chloro-2-pyridinyl)oxy]azetidin-1-yl]-(6-methoxy-1H-indol-2-yl)methanone.

Molecular Properties

Compound Name[3-[(5-chloro-2-pyridinyl)oxy]azetidin-1-yl]-(6-methoxy-1H-indol-2-yl)methanone
PubChem CID122248470
Molecular FormulaC18H16ClN3O3
Molecular Weight357.80 g/mol
Exact Mass357.09
IUPAC Name[3-[(5-chloro-2-pyridinyl)oxy]azetidin-1-yl]-(6-methoxy-1H-indol-2-yl)methanone
SMILESCOc1ccc2cc(C(=O)N3CC(Oc4ccc(Cl)cn4)C3)[nH]c2c1
InChIInChI=1S/C18H16ClN3O3/c1-24-13-4-2-11-6-16(21-15(11)7-13)18(23)22-9-14(10-22)25-17-5-3-12(19)8-20-17/h2-8,14,21H,9-10H2,1H3
InChIKeyPAWKCTMCTOTKJD-UHFFFAOYSA-N
XLogP3.13
TPSA67.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.80
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [3-[(5-chloro-2-pyridinyl)oxy]azetidin-1-yl]-(6-methoxy-1H-indol-2-yl)methanone with MolForge

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Related Compounds

(6-methoxy-1H-indol-2-yl)-[(3R)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]methanone
CID 129416402
(2,6-dimethylmorpholin-4-yl)-(6-methoxy-1H-indol-2-yl)methanone
CID 4870192
4-[1-(6-methoxy-1H-indole-2-carbonyl)azetidin-3-yl]oxy-6-methylpyran-2-one
CID 121155632
3-[(5-chloro-2-pyridinyl)oxy]-N-[(4-methoxyphenyl)methyl]azetidine-1-carboxamide
CID 122248507
[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]-(6-methoxy-1H-indol-2-yl)methanone
CID 122257934
[3-[(5-chloro-2-pyridinyl)oxy]azetidin-1-yl]-(3-methoxy-1-methylpyrazol-4-yl)methanone
CID 122248430
[3-[(5-chloro-2-pyridinyl)oxy]azetidin-1-yl]-(4-ethoxyphenyl)methanone
CID 122248298
4-[3-[(5-chloro-2-pyridinyl)oxy]azetidine-1-carbonyl]-1-(3-methoxyphenyl)pyrrolidin-2-one
CID 122248397
3-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-3-yl]oxypyrazine-2-carbonitrile
CID 91628023
(6-methoxy-1H-indol-2-yl)-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methanone
CID 126893730
[3-(hydroxymethyl)-4-pyridin-2-ylpyrrolidin-1-yl]-(6-methoxy-1H-indol-2-yl)methanone
CID 156611412
[3-[(5-chloro-2-pyridinyl)oxy]azetidin-1-yl]-(2-methylphenyl)methanone
CID 122248288

Frequently Asked Questions

What is the IUPAC name of [3-[(5-chloro-2-pyridinyl)oxy]azetidin-1-yl]-(6-methoxy-1H-indol-2-yl)methanone?
The IUPAC name of [3-[(5-chloro-2-pyridinyl)oxy]azetidin-1-yl]-(6-methoxy-1H-indol-2-yl)methanone (CID 122248470) is [3-[(5-chloro-2-pyridinyl)oxy]azetidin-1-yl]-(6-methoxy-1H-indol-2-yl)methanone.
What is the SMILES notation for [3-[(5-chloro-2-pyridinyl)oxy]azetidin-1-yl]-(6-methoxy-1H-indol-2-yl)methanone?
The canonical SMILES for [3-[(5-chloro-2-pyridinyl)oxy]azetidin-1-yl]-(6-methoxy-1H-indol-2-yl)methanone is COc1ccc2cc(C(=O)N3CC(Oc4ccc(Cl)cn4)C3)[nH]c2c1.
What is the InChIKey of [3-[(5-chloro-2-pyridinyl)oxy]azetidin-1-yl]-(6-methoxy-1H-indol-2-yl)methanone?
The InChIKey is PAWKCTMCTOTKJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O3/c1-24-13-4-2-11-6-16(21-15(11)7-13)18(23)22-9-14(10-22)25-17-5-3-12(19)8-20-17/h2-8,14,21H,9-10H2,1H3.
What are the key properties of [3-[(5-chloro-2-pyridinyl)oxy]azetidin-1-yl]-(6-methoxy-1H-indol-2-yl)methanone?
[3-[(5-chloro-2-pyridinyl)oxy]azetidin-1-yl]-(6-methoxy-1H-indol-2-yl)methanone has a molecular weight of 357.80 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(5-chloro-2-pyridinyl)oxy]azetidin-1-yl]-(6-methoxy-1H-indol-2-yl)methanone is sourced from PubChem (CID 122248470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).