[5-methyl-6-(2-morpholin-4-ylethyl)thieno[2,3-b]pyrrol-2-yl]-(5-methyl-2-pyridinyl)methanone

C20H23N3O2S — CID 50898805

IUPAC[5-methyl-6-(2-morpholin-4-ylethyl)thieno[2,3-b]pyrrol-2-yl]-(5-methyl-2-pyridinyl)methanone
SMILESCc1ccc(C(=O)c2cc3cc(C)n(CCN4CCOCC4)c3s2)nc1
InChIInChI=1S/C20H23N3O2S/c1-14-3-4-17(21-13-14)19(24)18-12-16-11-15(2)23(20(16)26-18)6-5-22-7-9-25-10-8-22/h3-4,11-13H,5-10H2,1-2H3
InChIKeySBDKJSGPROVPIS-UHFFFAOYSA-N
MW369.49 g/mol
LogP3.28
Rot. Bonds5

About [5-methyl-6-(2-morpholin-4-ylethyl)thieno[2,3-b]pyrrol-2-yl]-(5-methyl-2-pyridinyl)methanone

[5-methyl-6-(2-morpholin-4-ylethyl)thieno[2,3-b]pyrrol-2-yl]-(5-methyl-2-pyridinyl)methanone (PubChem CID 50898805) has the molecular formula C20H23N3O2S and a molecular weight of 369.49 g/mol. Its IUPAC name is [5-methyl-6-(2-morpholin-4-ylethyl)thieno[2,3-b]pyrrol-2-yl]-(5-methyl-2-pyridinyl)methanone.

Molecular Properties

Compound Name[5-methyl-6-(2-morpholin-4-ylethyl)thieno[2,3-b]pyrrol-2-yl]-(5-methyl-2-pyridinyl)methanone
PubChem CID50898805
Molecular FormulaC20H23N3O2S
Molecular Weight369.49 g/mol
Exact Mass369.15
IUPAC Name[5-methyl-6-(2-morpholin-4-ylethyl)thieno[2,3-b]pyrrol-2-yl]-(5-methyl-2-pyridinyl)methanone
SMILESCc1ccc(C(=O)c2cc3cc(C)n(CCN4CCOCC4)c3s2)nc1
InChIInChI=1S/C20H23N3O2S/c1-14-3-4-17(21-13-14)19(24)18-12-16-11-15(2)23(20(16)26-18)6-5-22-7-9-25-10-8-22/h3-4,11-13H,5-10H2,1-2H3
InChIKeySBDKJSGPROVPIS-UHFFFAOYSA-N
XLogP3.28
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(5-methoxy-2-pyridinyl)-[5-methyl-6-(2-morpholin-4-ylethyl)thieno[2,3-b]pyrrol-2-yl]methanone
CID 66898285
[5-methyl-6-(2-morpholin-4-ylethyl)thieno[2,3-b]pyrrol-2-yl]-pyridin-4-ylmethanone
CID 66900005
(6-methoxy-3-pyridinyl)-[5-methyl-6-[2-(1,4-oxazepan-4-yl)ethyl]thieno[2,3-b]pyrrol-2-yl]methanone
CID 50899020
4-[5-methyl-6-(2-morpholin-4-ylethyl)thieno[2,3-b]pyrrole-2-carbonyl]benzonitrile
CID 50898725
(4-fluoro-2-methoxyphenyl)-[5-methyl-6-(2-morpholin-4-ylethyl)thieno[2,3-b]pyrrol-2-yl]methanone
CID 66886840
2,3-dihydro-1-benzofuran-7-yl-[5-methyl-6-(2-morpholin-4-ylethyl)thieno[2,3-b]pyrrol-2-yl]methanone
CID 50899586
(4-methoxyphenyl)-[5-methyl-6-(2-morpholin-4-ylethyl)thieno[2,3-b]pyrrol-2-yl]methanethione
CID 87184819
(6-methoxy-3-pyridinyl)-[5-methyl-6-(2-morpholin-4-ium-4-ylethyl)thieno[2,3-b]pyrrol-2-yl]methanone;4-methylbenzenesulfonate
CID 86676183
(4-chlorophenyl)-[5-methyl-6-(2-morpholin-4-ylethyl)thieno[2,3-b]pyrrol-2-yl]methanone;(2,4-dichlorophenyl)-[5-methyl-6-(2-morpholin-4-ylethyl)thieno[2,3-b]pyrrol-2-yl]methanone;(3,4-dichlorophenyl)-[5-methyl-6-(2-morpholin-4-ylethyl)thieno[2,3-b]pyrrol-2-yl]methanone;(2,3-difluorophenyl)-[5-methyl-6-(2-morpholin-4-ylethyl)thieno[2,3-b]pyrrol-2-yl]methanone;[5-methyl-6-(2-morpholin-4-ylethyl)thieno[2,3-b]pyrrol-2-yl]-phenylmethanone
CID 159629851
deuteride;4-methylbenzonitrile;[5-methyl-6-(2-morpholin-4-ylethyl)thieno[2,3-b]pyrrol-2-yl]-(4-methylphenyl)methanimine;4-[2-(5-methylthieno[2,3-b]pyrrol-6-yl)ethyl]morpholine;tritide
CID 157294057
2-(2,4-dimethylphenyl)-N-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carboxamide
CID 49014551
4-[2-(2,7-dimethylindol-1-yl)ethyl]morpholine
CID 19366801

Frequently Asked Questions

What is the IUPAC name of [5-methyl-6-(2-morpholin-4-ylethyl)thieno[2,3-b]pyrrol-2-yl]-(5-methyl-2-pyridinyl)methanone?
The IUPAC name of [5-methyl-6-(2-morpholin-4-ylethyl)thieno[2,3-b]pyrrol-2-yl]-(5-methyl-2-pyridinyl)methanone (CID 50898805) is [5-methyl-6-(2-morpholin-4-ylethyl)thieno[2,3-b]pyrrol-2-yl]-(5-methyl-2-pyridinyl)methanone.
What is the SMILES notation for [5-methyl-6-(2-morpholin-4-ylethyl)thieno[2,3-b]pyrrol-2-yl]-(5-methyl-2-pyridinyl)methanone?
The canonical SMILES for [5-methyl-6-(2-morpholin-4-ylethyl)thieno[2,3-b]pyrrol-2-yl]-(5-methyl-2-pyridinyl)methanone is Cc1ccc(C(=O)c2cc3cc(C)n(CCN4CCOCC4)c3s2)nc1.
What is the InChIKey of [5-methyl-6-(2-morpholin-4-ylethyl)thieno[2,3-b]pyrrol-2-yl]-(5-methyl-2-pyridinyl)methanone?
The InChIKey is SBDKJSGPROVPIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2S/c1-14-3-4-17(21-13-14)19(24)18-12-16-11-15(2)23(20(16)26-18)6-5-22-7-9-25-10-8-22/h3-4,11-13H,5-10H2,1-2H3.
What are the key properties of [5-methyl-6-(2-morpholin-4-ylethyl)thieno[2,3-b]pyrrol-2-yl]-(5-methyl-2-pyridinyl)methanone?
[5-methyl-6-(2-morpholin-4-ylethyl)thieno[2,3-b]pyrrol-2-yl]-(5-methyl-2-pyridinyl)methanone has a molecular weight of 369.49 g/mol, XLogP of 3.28, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-6-(2-morpholin-4-ylethyl)thieno[2,3-b]pyrrol-2-yl]-(5-methyl-2-pyridinyl)methanone is sourced from PubChem (CID 50898805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).