(6-methoxy-1H-indol-2-yl)-[(3R)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]methanone

C20H21N3O3 — CID 129416402

IUPAC(6-methoxy-1H-indol-2-yl)-[(3R)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]methanone
SMILESCOc1ccc2cc(C(=O)N3CC[C@@H](Oc4ccc(C)cn4)C3)[nH]c2c1
InChIInChI=1S/C20H21N3O3/c1-13-3-6-19(21-11-13)26-16-7-8-23(12-16)20(24)18-9-14-4-5-15(25-2)10-17(14)22-18/h3-6,9-11,16,22H,7-8,12H2,1-2H3/t16-/m1/s1
InChIKeyCIAPNRDWMJDKJT-MRXNPFEDSA-N
MW351.41 g/mol
LogP3.17
Rot. Bonds4

About (6-methoxy-1H-indol-2-yl)-[(3R)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]methanone

(6-methoxy-1H-indol-2-yl)-[(3R)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]methanone (PubChem CID 129416402) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is (6-methoxy-1H-indol-2-yl)-[(3R)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(6-methoxy-1H-indol-2-yl)-[(3R)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]methanone
PubChem CID129416402
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Name(6-methoxy-1H-indol-2-yl)-[(3R)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]methanone
SMILESCOc1ccc2cc(C(=O)N3CC[C@@H](Oc4ccc(C)cn4)C3)[nH]c2c1
InChIInChI=1S/C20H21N3O3/c1-13-3-6-19(21-11-13)26-16-7-8-23(12-16)20(24)18-9-14-4-5-15(25-2)10-17(14)22-18/h3-6,9-11,16,22H,7-8,12H2,1-2H3/t16-/m1/s1
InChIKeyCIAPNRDWMJDKJT-MRXNPFEDSA-N
XLogP3.17
TPSA67.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

[3-[(5-chloro-2-pyridinyl)oxy]azetidin-1-yl]-(6-methoxy-1H-indol-2-yl)methanone
CID 122248470
[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]-(6-methoxy-1H-indol-2-yl)methanone
CID 122257934
4-[1-(6-methoxy-1H-indole-2-carbonyl)pyrrolidin-3-yl]oxy-6-methylpyran-2-one
CID 90628768
(4,6-dimethoxypyrimidin-2-yl)-[3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]methanone
CID 138020495
2-(4-methoxyphenyl)-1-[(3S)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]ethanone
CID 129416498
3-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-3-yl]oxypyrazine-2-carbonitrile
CID 91628023
(2,5-dimethylfuran-3-yl)-[(3R)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]methanone
CID 129416387
(6-methoxy-1H-indol-2-yl)-[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methanone
CID 126887511
(3-fluoro-4-methoxyphenyl)-[(3R)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]methanone
CID 129416784
1H-indol-2-yl-[(3S)-3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]methanone
CID 100625464
(2R)-4-(6-methoxy-1H-indole-2-carbonyl)morpholine-2-carboxamide
CID 94825635
[(3S)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 129418276

Frequently Asked Questions

What is the IUPAC name of (6-methoxy-1H-indol-2-yl)-[(3R)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]methanone?
The IUPAC name of (6-methoxy-1H-indol-2-yl)-[(3R)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]methanone (CID 129416402) is (6-methoxy-1H-indol-2-yl)-[(3R)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]methanone.
What is the SMILES notation for (6-methoxy-1H-indol-2-yl)-[(3R)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]methanone?
The canonical SMILES for (6-methoxy-1H-indol-2-yl)-[(3R)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]methanone is COc1ccc2cc(C(=O)N3CC[C@@H](Oc4ccc(C)cn4)C3)[nH]c2c1.
What is the InChIKey of (6-methoxy-1H-indol-2-yl)-[(3R)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]methanone?
The InChIKey is CIAPNRDWMJDKJT-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-13-3-6-19(21-11-13)26-16-7-8-23(12-16)20(24)18-9-14-4-5-15(25-2)10-17(14)22-18/h3-6,9-11,16,22H,7-8,12H2,1-2H3/t16-/m1/s1.
What are the key properties of (6-methoxy-1H-indol-2-yl)-[(3R)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]methanone?
(6-methoxy-1H-indol-2-yl)-[(3R)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]methanone has a molecular weight of 351.41 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methoxy-1H-indol-2-yl)-[(3R)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 129416402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).