5-[2-[(3R)-3-methylmorpholine-4-carbonyl]thieno[2,3-b]pyridin-6-yl]-1H-pyridin-2-one

C18H17N3O3S — CID 172583435

IUPAC5-[2-[(3R)-3-methylmorpholine-4-carbonyl]thieno[2,3-b]pyridin-6-yl]-1H-pyridin-2-one
SMILESC[C@@H]1COCCN1C(=O)c1cc2ccc(-c3ccc(=O)[nH]c3)nc2s1
InChIInChI=1S/C18H17N3O3S/c1-11-10-24-7-6-21(11)18(23)15-8-12-2-4-14(20-17(12)25-15)13-3-5-16(22)19-9-13/h2-5,8-9,11H,6-7,10H2,1H3,(H,19,22)/t11-/m1/s1
InChIKeyITZLPXGDVMHWLU-LLVKDONJSA-N
MW355.42 g/mol
LogP2.51
Rot. Bonds2

About 5-[2-[(3R)-3-methylmorpholine-4-carbonyl]thieno[2,3-b]pyridin-6-yl]-1H-pyridin-2-one

5-[2-[(3R)-3-methylmorpholine-4-carbonyl]thieno[2,3-b]pyridin-6-yl]-1H-pyridin-2-one (PubChem CID 172583435) has the molecular formula C18H17N3O3S and a molecular weight of 355.42 g/mol. Its IUPAC name is 5-[2-[(3R)-3-methylmorpholine-4-carbonyl]thieno[2,3-b]pyridin-6-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[2-[(3R)-3-methylmorpholine-4-carbonyl]thieno[2,3-b]pyridin-6-yl]-1H-pyridin-2-one
PubChem CID172583435
Molecular FormulaC18H17N3O3S
Molecular Weight355.42 g/mol
Exact Mass355.10
IUPAC Name5-[2-[(3R)-3-methylmorpholine-4-carbonyl]thieno[2,3-b]pyridin-6-yl]-1H-pyridin-2-one
SMILESC[C@@H]1COCCN1C(=O)c1cc2ccc(-c3ccc(=O)[nH]c3)nc2s1
InChIInChI=1S/C18H17N3O3S/c1-11-10-24-7-6-21(11)18(23)15-8-12-2-4-14(20-17(12)25-15)13-3-5-16(22)19-9-13/h2-5,8-9,11H,6-7,10H2,1H3,(H,19,22)/t11-/m1/s1
InChIKeyITZLPXGDVMHWLU-LLVKDONJSA-N
XLogP2.51
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[2-[(3R)-3-methylmorpholine-4-carbonyl]thieno[2,3-b]pyridin-6-yl]-1H-pyridin-2-one with MolForge

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Related Compounds

1-methyl-5-[2-(3-methylmorpholine-4-carbonyl)thieno[2,3-b]pyridin-6-yl]pyridin-2-one
CID 172583527
(3-methylmorpholin-4-yl)-[6-(3-methyltriazolo[4,5-b]pyridin-6-yl)thieno[2,3-b]pyridin-2-yl]methanone
CID 172583385
[(3S)-3-methylmorpholin-4-yl]-[6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-2-yl]methanone
CID 172583459
[(3R)-3-methylmorpholin-4-yl]-[6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-2-yl]methanone
CID 172583428
[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]-[(3R)-3-methylmorpholin-4-yl]methanone
CID 94095663
[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]-(3-methylmorpholin-4-yl)methanone
CID 176716360
[(3R)-3-methylmorpholin-4-yl]-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]methanone
CID 37192686
(3-methylmorpholin-4-yl)-(4-methyl-2-phenyl-1,3-thiazol-5-yl)methanone
CID 110309752
(4-bromo-1H-pyrrol-2-yl)-(3-methylmorpholin-4-yl)methanone
CID 43431802
(4-chloro-1H-pyrrol-2-yl)-[(3R)-3-methylmorpholin-4-yl]methanone
CID 94145769
(3-methylmorpholin-4-yl)-(6-propan-2-yl-2-pyridinyl)methanone
CID 177347142
1H-indol-5-yl-(3-methylmorpholin-4-yl)methanone
CID 63717142

Frequently Asked Questions

What is the IUPAC name of 5-[2-[(3R)-3-methylmorpholine-4-carbonyl]thieno[2,3-b]pyridin-6-yl]-1H-pyridin-2-one?
The IUPAC name of 5-[2-[(3R)-3-methylmorpholine-4-carbonyl]thieno[2,3-b]pyridin-6-yl]-1H-pyridin-2-one (CID 172583435) is 5-[2-[(3R)-3-methylmorpholine-4-carbonyl]thieno[2,3-b]pyridin-6-yl]-1H-pyridin-2-one.
What is the SMILES notation for 5-[2-[(3R)-3-methylmorpholine-4-carbonyl]thieno[2,3-b]pyridin-6-yl]-1H-pyridin-2-one?
The canonical SMILES for 5-[2-[(3R)-3-methylmorpholine-4-carbonyl]thieno[2,3-b]pyridin-6-yl]-1H-pyridin-2-one is C[C@@H]1COCCN1C(=O)c1cc2ccc(-c3ccc(=O)[nH]c3)nc2s1.
What is the InChIKey of 5-[2-[(3R)-3-methylmorpholine-4-carbonyl]thieno[2,3-b]pyridin-6-yl]-1H-pyridin-2-one?
The InChIKey is ITZLPXGDVMHWLU-LLVKDONJSA-N. The full InChI is InChI=1S/C18H17N3O3S/c1-11-10-24-7-6-21(11)18(23)15-8-12-2-4-14(20-17(12)25-15)13-3-5-16(22)19-9-13/h2-5,8-9,11H,6-7,10H2,1H3,(H,19,22)/t11-/m1/s1.
What are the key properties of 5-[2-[(3R)-3-methylmorpholine-4-carbonyl]thieno[2,3-b]pyridin-6-yl]-1H-pyridin-2-one?
5-[2-[(3R)-3-methylmorpholine-4-carbonyl]thieno[2,3-b]pyridin-6-yl]-1H-pyridin-2-one has a molecular weight of 355.42 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(3R)-3-methylmorpholine-4-carbonyl]thieno[2,3-b]pyridin-6-yl]-1H-pyridin-2-one is sourced from PubChem (CID 172583435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).