[(3R)-3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]-(3,5-dimethyl-1H-indol-2-yl)methanone

C23H26N2O3 — CID 97148435

IUPAC[(3R)-3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]-(3,5-dimethyl-1H-indol-2-yl)methanone
SMILESCOc1cccc([C@H]2CCN(C(=O)c3[nH]c4ccc(C)cc4c3C)C2)c1OC
InChIInChI=1S/C23H26N2O3/c1-14-8-9-19-18(12-14)15(2)21(24-19)23(26)25-11-10-16(13-25)17-6-5-7-20(27-3)22(17)28-4/h5-9,12,16,24H,10-11,13H2,1-4H3/t16-/m0/s1
InChIKeyJQWYIVORVVUUFD-INIZCTEOSA-N
MW378.47 g/mol
LogP4.43
Rot. Bonds4

About [(3R)-3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]-(3,5-dimethyl-1H-indol-2-yl)methanone

[(3R)-3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]-(3,5-dimethyl-1H-indol-2-yl)methanone (PubChem CID 97148435) has the molecular formula C23H26N2O3 and a molecular weight of 378.47 g/mol. Its IUPAC name is [(3R)-3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]-(3,5-dimethyl-1H-indol-2-yl)methanone.

Molecular Properties

Compound Name[(3R)-3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]-(3,5-dimethyl-1H-indol-2-yl)methanone
PubChem CID97148435
Molecular FormulaC23H26N2O3
Molecular Weight378.47 g/mol
Exact Mass378.19
IUPAC Name[(3R)-3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]-(3,5-dimethyl-1H-indol-2-yl)methanone
SMILESCOc1cccc([C@H]2CCN(C(=O)c3[nH]c4ccc(C)cc4c3C)C2)c1OC
InChIInChI=1S/C23H26N2O3/c1-14-8-9-19-18(12-14)15(2)21(24-19)23(26)25-11-10-16(13-25)17-6-5-7-20(27-3)22(17)28-4/h5-9,12,16,24H,10-11,13H2,1-4H3/t16-/m0/s1
InChIKeyJQWYIVORVVUUFD-INIZCTEOSA-N
XLogP4.43
TPSA54.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

[3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]-(1H-imidazol-5-yl)methanone
CID 90650929
(3,5-dimethyl-1H-indol-2-yl)-(3,5-dimethylpiperidin-1-yl)methanone
CID 84578683
[3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]-(2-methylimidazo[1,2-a]pyridin-6-yl)methanone
CID 91783433
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3,5-dimethyl-1H-indol-2-yl)methanone
CID 70769742
3-[3-(2,3-dimethoxyphenyl)pyrrolidine-1-carbonyl]-1-(4-fluorophenyl)-4-methylpyridin-2-one
CID 172666521
[(3S)-3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-(5-fluoro-3-methyl-1H-indol-2-yl)methanone
CID 95829854
(5-methoxy-3-methyl-1H-indol-2-yl)-(3-phenoxypyrrolidin-1-yl)methanone
CID 119062680
[(3R)-3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)methanone
CID 99971887
(3,5-dimethyl-1H-indol-2-yl)-[4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]methanone
CID 25210768
1-[4-(3,5-dimethyl-1H-indol-2-yl)piperidin-1-yl]ethanone
CID 84581686
1-[(3S)-3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]-2-(7-fluoro-2-methyl-1H-indol-3-yl)ethanone
CID 97131804
(3R)-3-(2,3-dimethoxyphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidine-1-carboxamide
CID 126445759

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]-(3,5-dimethyl-1H-indol-2-yl)methanone?
The IUPAC name of [(3R)-3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]-(3,5-dimethyl-1H-indol-2-yl)methanone (CID 97148435) is [(3R)-3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]-(3,5-dimethyl-1H-indol-2-yl)methanone.
What is the SMILES notation for [(3R)-3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]-(3,5-dimethyl-1H-indol-2-yl)methanone?
The canonical SMILES for [(3R)-3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]-(3,5-dimethyl-1H-indol-2-yl)methanone is COc1cccc([C@H]2CCN(C(=O)c3[nH]c4ccc(C)cc4c3C)C2)c1OC.
What is the InChIKey of [(3R)-3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]-(3,5-dimethyl-1H-indol-2-yl)methanone?
The InChIKey is JQWYIVORVVUUFD-INIZCTEOSA-N. The full InChI is InChI=1S/C23H26N2O3/c1-14-8-9-19-18(12-14)15(2)21(24-19)23(26)25-11-10-16(13-25)17-6-5-7-20(27-3)22(17)28-4/h5-9,12,16,24H,10-11,13H2,1-4H3/t16-/m0/s1.
What are the key properties of [(3R)-3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]-(3,5-dimethyl-1H-indol-2-yl)methanone?
[(3R)-3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]-(3,5-dimethyl-1H-indol-2-yl)methanone has a molecular weight of 378.47 g/mol, XLogP of 4.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]-(3,5-dimethyl-1H-indol-2-yl)methanone is sourced from PubChem (CID 97148435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).