4-[1-(6-methoxy-1H-indole-2-carbonyl)pyrrolidin-3-yl]oxy-6-methylpyran-2-one

C20H20N2O5 — CID 90628768

IUPAC4-[1-(6-methoxy-1H-indole-2-carbonyl)pyrrolidin-3-yl]oxy-6-methylpyran-2-one
SMILESCOc1ccc2cc(C(=O)N3CCC(Oc4cc(C)oc(=O)c4)C3)[nH]c2c1
InChIInChI=1S/C20H20N2O5/c1-12-7-16(10-19(23)26-12)27-15-5-6-22(11-15)20(24)18-8-13-3-4-14(25-2)9-17(13)21-18/h3-4,7-10,15,21H,5-6,11H2,1-2H3
InChIKeyBUHNJSNJZSANIK-UHFFFAOYSA-N
MW368.39 g/mol
LogP2.73
Rot. Bonds4

About 4-[1-(6-methoxy-1H-indole-2-carbonyl)pyrrolidin-3-yl]oxy-6-methylpyran-2-one

4-[1-(6-methoxy-1H-indole-2-carbonyl)pyrrolidin-3-yl]oxy-6-methylpyran-2-one (PubChem CID 90628768) has the molecular formula C20H20N2O5 and a molecular weight of 368.39 g/mol. Its IUPAC name is 4-[1-(6-methoxy-1H-indole-2-carbonyl)pyrrolidin-3-yl]oxy-6-methylpyran-2-one.

Molecular Properties

Compound Name4-[1-(6-methoxy-1H-indole-2-carbonyl)pyrrolidin-3-yl]oxy-6-methylpyran-2-one
PubChem CID90628768
Molecular FormulaC20H20N2O5
Molecular Weight368.39 g/mol
Exact Mass368.14
IUPAC Name4-[1-(6-methoxy-1H-indole-2-carbonyl)pyrrolidin-3-yl]oxy-6-methylpyran-2-one
SMILESCOc1ccc2cc(C(=O)N3CCC(Oc4cc(C)oc(=O)c4)C3)[nH]c2c1
InChIInChI=1S/C20H20N2O5/c1-12-7-16(10-19(23)26-12)27-15-5-6-22(11-15)20(24)18-8-13-3-4-14(25-2)9-17(13)21-18/h3-4,7-10,15,21H,5-6,11H2,1-2H3
InChIKeyBUHNJSNJZSANIK-UHFFFAOYSA-N
XLogP2.73
TPSA84.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[1-(6-methoxy-1H-indole-2-carbonyl)pyrrolidin-3-yl]oxy-6-methylpyran-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[1-(6-methoxy-1H-indole-2-carbonyl)azetidin-3-yl]oxy-6-methylpyran-2-one
CID 121155632
(6-methoxy-1H-indol-2-yl)-[(3R)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]methanone
CID 129416402
[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]-(6-methoxy-1H-indol-2-yl)methanone
CID 122257934
6-methyl-4-[(3R)-1-(5-methylthiophene-2-carbonyl)pyrrolidin-3-yl]oxypyran-2-one
CID 99877879
4-[1-[3-(2-methoxyphenyl)-1H-pyrazole-5-carbonyl]pyrrolidin-3-yl]oxy-6-methylpyran-2-one
CID 90628763
4-[1-(2,4-dichlorobenzoyl)pyrrolidin-3-yl]oxy-6-methylpyran-2-one
CID 90628714
6-methyl-4-[1-(quinoline-2-carbonyl)pyrrolidin-3-yl]oxypyran-2-one
CID 90628747
4-[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]oxy-6-methylpyran-2-one
CID 90628984
(2,6-dimethylmorpholin-4-yl)-(6-methoxy-1H-indol-2-yl)methanone
CID 4870192
(2R)-4-(6-methoxy-1H-indole-2-carbonyl)morpholine-2-carboxamide
CID 94825635
(6-methoxy-1H-indol-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 4909282
(6-methoxy-1H-indol-2-yl)-[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methanone
CID 126887511

Frequently Asked Questions

What is the IUPAC name of 4-[1-(6-methoxy-1H-indole-2-carbonyl)pyrrolidin-3-yl]oxy-6-methylpyran-2-one?
The IUPAC name of 4-[1-(6-methoxy-1H-indole-2-carbonyl)pyrrolidin-3-yl]oxy-6-methylpyran-2-one (CID 90628768) is 4-[1-(6-methoxy-1H-indole-2-carbonyl)pyrrolidin-3-yl]oxy-6-methylpyran-2-one.
What is the SMILES notation for 4-[1-(6-methoxy-1H-indole-2-carbonyl)pyrrolidin-3-yl]oxy-6-methylpyran-2-one?
The canonical SMILES for 4-[1-(6-methoxy-1H-indole-2-carbonyl)pyrrolidin-3-yl]oxy-6-methylpyran-2-one is COc1ccc2cc(C(=O)N3CCC(Oc4cc(C)oc(=O)c4)C3)[nH]c2c1.
What is the InChIKey of 4-[1-(6-methoxy-1H-indole-2-carbonyl)pyrrolidin-3-yl]oxy-6-methylpyran-2-one?
The InChIKey is BUHNJSNJZSANIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O5/c1-12-7-16(10-19(23)26-12)27-15-5-6-22(11-15)20(24)18-8-13-3-4-14(25-2)9-17(13)21-18/h3-4,7-10,15,21H,5-6,11H2,1-2H3.
What are the key properties of 4-[1-(6-methoxy-1H-indole-2-carbonyl)pyrrolidin-3-yl]oxy-6-methylpyran-2-one?
4-[1-(6-methoxy-1H-indole-2-carbonyl)pyrrolidin-3-yl]oxy-6-methylpyran-2-one has a molecular weight of 368.39 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(6-methoxy-1H-indole-2-carbonyl)pyrrolidin-3-yl]oxy-6-methylpyran-2-one is sourced from PubChem (CID 90628768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).