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

C20H23N3O3S — CID 66898285

IUPAC(5-methoxy-2-pyridinyl)-[5-methyl-6-(2-morpholin-4-ylethyl)thieno[2,3-b]pyrrol-2-yl]methanone
SMILESCOc1ccc(C(=O)c2cc3cc(C)n(CCN4CCOCC4)c3s2)nc1
InChIInChI=1S/C20H23N3O3S/c1-14-11-15-12-18(19(24)17-4-3-16(25-2)13-21-17)27-20(15)23(14)6-5-22-7-9-26-10-8-22/h3-4,11-13H,5-10H2,1-2H3
InChIKeyLXHYZSCUYPXJFA-UHFFFAOYSA-N
MW385.49 g/mol
LogP2.98
Rot. Bonds6

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

(5-methoxy-2-pyridinyl)-[5-methyl-6-(2-morpholin-4-ylethyl)thieno[2,3-b]pyrrol-2-yl]methanone (PubChem CID 66898285) has the molecular formula C20H23N3O3S and a molecular weight of 385.49 g/mol. Its IUPAC name is (5-methoxy-2-pyridinyl)-[5-methyl-6-(2-morpholin-4-ylethyl)thieno[2,3-b]pyrrol-2-yl]methanone.

Molecular Properties

Compound Name(5-methoxy-2-pyridinyl)-[5-methyl-6-(2-morpholin-4-ylethyl)thieno[2,3-b]pyrrol-2-yl]methanone
PubChem CID66898285
Molecular FormulaC20H23N3O3S
Molecular Weight385.49 g/mol
Exact Mass385.15
IUPAC Name(5-methoxy-2-pyridinyl)-[5-methyl-6-(2-morpholin-4-ylethyl)thieno[2,3-b]pyrrol-2-yl]methanone
SMILESCOc1ccc(C(=O)c2cc3cc(C)n(CCN4CCOCC4)c3s2)nc1
InChIInChI=1S/C20H23N3O3S/c1-14-11-15-12-18(19(24)17-4-3-16(25-2)13-21-17)27-20(15)23(14)6-5-22-7-9-26-10-8-22/h3-4,11-13H,5-10H2,1-2H3
InChIKeyLXHYZSCUYPXJFA-UHFFFAOYSA-N
XLogP2.98
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[5-methyl-6-(2-morpholin-4-ylethyl)thieno[2,3-b]pyrrol-2-yl]-(5-methyl-2-pyridinyl)methanone
CID 50898805
(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-methoxyphenyl)-[5-methyl-6-(2-morpholin-4-ylethyl)thieno[2,3-b]pyrrol-2-yl]methanethione
CID 87184819
[5-methyl-6-(2-morpholin-4-ylethyl)thieno[2,3-b]pyrrol-2-yl]-pyridin-4-ylmethanone
CID 66900005
(4-fluoro-2-methoxyphenyl)-[5-methyl-6-(2-morpholin-4-ylethyl)thieno[2,3-b]pyrrol-2-yl]methanone
CID 66886840
4-[5-methyl-6-(2-morpholin-4-ylethyl)thieno[2,3-b]pyrrole-2-carbonyl]benzonitrile
CID 50898725
2,3-dihydro-1-benzofuran-7-yl-[5-methyl-6-(2-morpholin-4-ylethyl)thieno[2,3-b]pyrrol-2-yl]methanone
CID 50899586
(2-fluoro-4-methoxyphenyl)-[5-methyl-6-(oxan-4-ylmethyl)thieno[2,3-b]pyrrol-2-yl]methanone
CID 66869714
(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
(6-benzyl-5-methylthieno[2,3-b]pyrrol-2-yl)-(4-methoxyphenyl)methanone;(2-chloro-4-methoxyphenyl)-[6-(3-chloropropyl)-5-methylthieno[2,3-b]pyrrol-2-yl]methanone;N-[3-[2-(4-methoxybenzoyl)-5-methylthieno[2,3-b]pyrrol-6-yl]propyl]benzenesulfonamide;(4-methoxyphenyl)-[5-methyl-6-[2-(oxan-4-yl)ethyl]thieno[2,3-b]pyrrol-2-yl]methanone;(4-methoxyphenyl)-[5-methyl-6-(2-pyrrolidin-1-ylethyl)thieno[2,3-b]pyrrol-2-yl]methanone
CID 159295819
4-[3-(4-methoxyphenoxy)propyl]morpholine
CID 2053845

Frequently Asked Questions

What is the IUPAC name of (5-methoxy-2-pyridinyl)-[5-methyl-6-(2-morpholin-4-ylethyl)thieno[2,3-b]pyrrol-2-yl]methanone?
The IUPAC name of (5-methoxy-2-pyridinyl)-[5-methyl-6-(2-morpholin-4-ylethyl)thieno[2,3-b]pyrrol-2-yl]methanone (CID 66898285) is (5-methoxy-2-pyridinyl)-[5-methyl-6-(2-morpholin-4-ylethyl)thieno[2,3-b]pyrrol-2-yl]methanone.
What is the SMILES notation for (5-methoxy-2-pyridinyl)-[5-methyl-6-(2-morpholin-4-ylethyl)thieno[2,3-b]pyrrol-2-yl]methanone?
The canonical SMILES for (5-methoxy-2-pyridinyl)-[5-methyl-6-(2-morpholin-4-ylethyl)thieno[2,3-b]pyrrol-2-yl]methanone is COc1ccc(C(=O)c2cc3cc(C)n(CCN4CCOCC4)c3s2)nc1.
What is the InChIKey of (5-methoxy-2-pyridinyl)-[5-methyl-6-(2-morpholin-4-ylethyl)thieno[2,3-b]pyrrol-2-yl]methanone?
The InChIKey is LXHYZSCUYPXJFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3S/c1-14-11-15-12-18(19(24)17-4-3-16(25-2)13-21-17)27-20(15)23(14)6-5-22-7-9-26-10-8-22/h3-4,11-13H,5-10H2,1-2H3.
What are the key properties of (5-methoxy-2-pyridinyl)-[5-methyl-6-(2-morpholin-4-ylethyl)thieno[2,3-b]pyrrol-2-yl]methanone?
(5-methoxy-2-pyridinyl)-[5-methyl-6-(2-morpholin-4-ylethyl)thieno[2,3-b]pyrrol-2-yl]methanone has a molecular weight of 385.49 g/mol, XLogP of 2.98, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methoxy-2-pyridinyl)-[5-methyl-6-(2-morpholin-4-ylethyl)thieno[2,3-b]pyrrol-2-yl]methanone is sourced from PubChem (CID 66898285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).