(2,3-dimethyl-1H-indol-7-yl)-[(2R,4S)-4-methoxy-2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methanone

C19H22N4O3 — CID 154802338

IUPAC(2,3-dimethyl-1H-indol-7-yl)-[(2R,4S)-4-methoxy-2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methanone
SMILESCO[C@H]1C[C@H](c2nnc(C)o2)N(C(=O)c2cccc3c(C)c(C)[nH]c23)C1
InChIInChI=1S/C19H22N4O3/c1-10-11(2)20-17-14(10)6-5-7-15(17)19(24)23-9-13(25-4)8-16(23)18-22-21-12(3)26-18/h5-7,13,16,20H,8-9H2,1-4H3/t13-,16+/m0/s1
InChIKeyFVLHRXIEJBYEHT-XJKSGUPXSA-N
MW354.41 g/mol
LogP3.08
Rot. Bonds3

About (2,3-dimethyl-1H-indol-7-yl)-[(2R,4S)-4-methoxy-2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methanone

(2,3-dimethyl-1H-indol-7-yl)-[(2R,4S)-4-methoxy-2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methanone (PubChem CID 154802338) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is (2,3-dimethyl-1H-indol-7-yl)-[(2R,4S)-4-methoxy-2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(2,3-dimethyl-1H-indol-7-yl)-[(2R,4S)-4-methoxy-2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methanone
PubChem CID154802338
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC Name(2,3-dimethyl-1H-indol-7-yl)-[(2R,4S)-4-methoxy-2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methanone
SMILESCO[C@H]1C[C@H](c2nnc(C)o2)N(C(=O)c2cccc3c(C)c(C)[nH]c23)C1
InChIInChI=1S/C19H22N4O3/c1-10-11(2)20-17-14(10)6-5-7-15(17)19(24)23-9-13(25-4)8-16(23)18-22-21-12(3)26-18/h5-7,13,16,20H,8-9H2,1-4H3/t13-,16+/m0/s1
InChIKeyFVLHRXIEJBYEHT-XJKSGUPXSA-N
XLogP3.08
TPSA84.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

cyclopropyl-[(2R,4S)-4-methoxy-2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methanone
CID 166228710
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CID 155949724
(7-chloro-3-methyl-1H-indol-2-yl)-[(4R)-2-(1H-imidazol-2-yl)-4-methoxypyrrolidin-1-yl]methanone
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(1S,4S)-2-(2,5-dimethoxyphenyl)-5-(2,3-dimethyl-1H-indole-7-carbonyl)-2,5-diazabicyclo[2.2.1]heptan-3-one
CID 42323138
(2S,4R)-1-(2,3-dimethyl-1H-indole-7-carbonyl)-4-hydroxypiperidine-2-carboxylic acid
CID 133134961
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CID 128985182
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CID 128983630
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Frequently Asked Questions

What is the IUPAC name of (2,3-dimethyl-1H-indol-7-yl)-[(2R,4S)-4-methoxy-2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of (2,3-dimethyl-1H-indol-7-yl)-[(2R,4S)-4-methoxy-2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methanone (CID 154802338) is (2,3-dimethyl-1H-indol-7-yl)-[(2R,4S)-4-methoxy-2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (2,3-dimethyl-1H-indol-7-yl)-[(2R,4S)-4-methoxy-2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (2,3-dimethyl-1H-indol-7-yl)-[(2R,4S)-4-methoxy-2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methanone is CO[C@H]1C[C@H](c2nnc(C)o2)N(C(=O)c2cccc3c(C)c(C)[nH]c23)C1.
What is the InChIKey of (2,3-dimethyl-1H-indol-7-yl)-[(2R,4S)-4-methoxy-2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methanone?
The InChIKey is FVLHRXIEJBYEHT-XJKSGUPXSA-N. The full InChI is InChI=1S/C19H22N4O3/c1-10-11(2)20-17-14(10)6-5-7-15(17)19(24)23-9-13(25-4)8-16(23)18-22-21-12(3)26-18/h5-7,13,16,20H,8-9H2,1-4H3/t13-,16+/m0/s1.
What are the key properties of (2,3-dimethyl-1H-indol-7-yl)-[(2R,4S)-4-methoxy-2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methanone?
(2,3-dimethyl-1H-indol-7-yl)-[(2R,4S)-4-methoxy-2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methanone has a molecular weight of 354.41 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethyl-1H-indol-7-yl)-[(2R,4S)-4-methoxy-2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 154802338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).