3-[2-[2-fluoro-5-(morpholine-4-carbonyl)phenyl]-4-pyridinyl]-5,5-dimethyl-2-morpholin-4-yl-4,6-dihydrothieno[2,3-c]pyridin-7-one

C29H31FN4O4S — CID 42635412

IUPAC3-[2-[2-fluoro-5-(morpholine-4-carbonyl)phenyl]-4-pyridinyl]-5,5-dimethyl-2-morpholin-4-yl-4,6-dihydrothieno[2,3-c]pyridin-7-one
SMILESCC1(C)Cc2c(sc(N3CCOCC3)c2-c2ccnc(-c3cc(C(=O)N4CCOCC4)ccc3F)c2)C(=O)N1
InChIInChI=1S/C29H31FN4O4S/c1-29(2)17-21-24(28(34-9-13-38-14-10-34)39-25(21)26(35)32-29)18-5-6-31-23(16-18)20-15-19(3-4-22(20)30)27(36)33-7-11-37-12-8-33/h3-6,15-16H,7-14,17H2,1-2H3,(H,32,35)
InChIKeyWFOXNZPUUKDEFQ-UHFFFAOYSA-N
MW550.66 g/mol
LogP3.99
Rot. Bonds4

About 3-[2-[2-fluoro-5-(morpholine-4-carbonyl)phenyl]-4-pyridinyl]-5,5-dimethyl-2-morpholin-4-yl-4,6-dihydrothieno[2,3-c]pyridin-7-one

3-[2-[2-fluoro-5-(morpholine-4-carbonyl)phenyl]-4-pyridinyl]-5,5-dimethyl-2-morpholin-4-yl-4,6-dihydrothieno[2,3-c]pyridin-7-one (PubChem CID 42635412) has the molecular formula C29H31FN4O4S and a molecular weight of 550.66 g/mol. Its IUPAC name is 3-[2-[2-fluoro-5-(morpholine-4-carbonyl)phenyl]-4-pyridinyl]-5,5-dimethyl-2-morpholin-4-yl-4,6-dihydrothieno[2,3-c]pyridin-7-one.

Molecular Properties

Compound Name3-[2-[2-fluoro-5-(morpholine-4-carbonyl)phenyl]-4-pyridinyl]-5,5-dimethyl-2-morpholin-4-yl-4,6-dihydrothieno[2,3-c]pyridin-7-one
PubChem CID42635412
Molecular FormulaC29H31FN4O4S
Molecular Weight550.66 g/mol
Exact Mass550.21
IUPAC Name3-[2-[2-fluoro-5-(morpholine-4-carbonyl)phenyl]-4-pyridinyl]-5,5-dimethyl-2-morpholin-4-yl-4,6-dihydrothieno[2,3-c]pyridin-7-one
SMILESCC1(C)Cc2c(sc(N3CCOCC3)c2-c2ccnc(-c3cc(C(=O)N4CCOCC4)ccc3F)c2)C(=O)N1
InChIInChI=1S/C29H31FN4O4S/c1-29(2)17-21-24(28(34-9-13-38-14-10-34)39-25(21)26(35)32-29)18-5-6-31-23(16-18)20-15-19(3-4-22(20)30)27(36)33-7-11-37-12-8-33/h3-6,15-16H,7-14,17H2,1-2H3,(H,32,35)
InChIKeyWFOXNZPUUKDEFQ-UHFFFAOYSA-N
XLogP3.99
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500550.66
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[2-[2-fluoro-5-(morpholine-4-carbonyl)phenyl]-4-pyridinyl]-5,5-dimethyl-2-morpholin-4-yl-4,6-dihydrothieno[2,3-c]pyridin-7-one with MolForge

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Related Compounds

US10501473, Example 4
CID 129160753
2-(morpholin-4-ylcarbonyl)-N-(2-pyridin-2-ylethyl)-4,5,6,7-tetrahydro-1-benzothiophene-5-carboxamide
CID 53187877
2-(Morpholine-4-carbonyl)-N-[(pyridin-2-YL)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-5-carboxamide
CID 53203727
N-(4-fluorophenyl)-3-methyl-6-oxo-4-(pyridin-3-yl)-4,5,6,7-tetrahydrothieno[2,3-b]pyridine-2-carboxamide
CID 42647475
3-[2-[2-Fluoro-5-(pyrrolidine-1-carbonyl)phenyl]-4-pyridinyl]-4-hydroxy-5,5-dimethyl-2-morpholin-4-yl-4,6-dihydrothieno[2,3-c]pyridin-7-one
CID 42633630
5-(3-fluorophenyl)-N-[2-[6-(morpholin-4-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]pyridine-3-carboxamide
CID 57664430
3-(2-fluorophenyl)-N-[2-[6-(morpholin-4-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]benzamide
CID 57664475
5-(2-fluorophenyl)-N-[2-[6-(morpholin-4-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]pyridine-3-carboxamide
CID 57664488
3-(3-fluorophenyl)-N-[2-[6-(morpholin-4-ylmethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]benzamide
CID 57664552
3-[4-(5,5-dimethyl-2-morpholin-4-yl-7-oxo-4,6-dihydro-1-benzothiophen-3-yl)-2-pyridinyl]-5-fluoro-N,N-dimethylbenzamide
CID 68774975
3-[2-[2-(Aminomethyl)-4-fluorophenyl]-4-pyridinyl]-5,5-dimethyl-2-morpholin-4-yl-4,6-dihydro-1-benzothiophen-7-one
CID 68775965
3-[2-(4-Fluorophenyl)-4-pyridinyl]-5,5-dimethyl-2-morpholin-4-yl-4,6-dihydro-1-benzothiophen-7-one
CID 68776671

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-fluoro-5-(morpholine-4-carbonyl)phenyl]-4-pyridinyl]-5,5-dimethyl-2-morpholin-4-yl-4,6-dihydrothieno[2,3-c]pyridin-7-one?
The IUPAC name of 3-[2-[2-fluoro-5-(morpholine-4-carbonyl)phenyl]-4-pyridinyl]-5,5-dimethyl-2-morpholin-4-yl-4,6-dihydrothieno[2,3-c]pyridin-7-one (CID 42635412) is 3-[2-[2-fluoro-5-(morpholine-4-carbonyl)phenyl]-4-pyridinyl]-5,5-dimethyl-2-morpholin-4-yl-4,6-dihydrothieno[2,3-c]pyridin-7-one.
What is the SMILES notation for 3-[2-[2-fluoro-5-(morpholine-4-carbonyl)phenyl]-4-pyridinyl]-5,5-dimethyl-2-morpholin-4-yl-4,6-dihydrothieno[2,3-c]pyridin-7-one?
The canonical SMILES for 3-[2-[2-fluoro-5-(morpholine-4-carbonyl)phenyl]-4-pyridinyl]-5,5-dimethyl-2-morpholin-4-yl-4,6-dihydrothieno[2,3-c]pyridin-7-one is CC1(C)Cc2c(sc(N3CCOCC3)c2-c2ccnc(-c3cc(C(=O)N4CCOCC4)ccc3F)c2)C(=O)N1.
What is the InChIKey of 3-[2-[2-fluoro-5-(morpholine-4-carbonyl)phenyl]-4-pyridinyl]-5,5-dimethyl-2-morpholin-4-yl-4,6-dihydrothieno[2,3-c]pyridin-7-one?
The InChIKey is WFOXNZPUUKDEFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31FN4O4S/c1-29(2)17-21-24(28(34-9-13-38-14-10-34)39-25(21)26(35)32-29)18-5-6-31-23(16-18)20-15-19(3-4-22(20)30)27(36)33-7-11-37-12-8-33/h3-6,15-16H,7-14,17H2,1-2H3,(H,32,35).
What are the key properties of 3-[2-[2-fluoro-5-(morpholine-4-carbonyl)phenyl]-4-pyridinyl]-5,5-dimethyl-2-morpholin-4-yl-4,6-dihydrothieno[2,3-c]pyridin-7-one?
3-[2-[2-fluoro-5-(morpholine-4-carbonyl)phenyl]-4-pyridinyl]-5,5-dimethyl-2-morpholin-4-yl-4,6-dihydrothieno[2,3-c]pyridin-7-one has a molecular weight of 550.66 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-fluoro-5-(morpholine-4-carbonyl)phenyl]-4-pyridinyl]-5,5-dimethyl-2-morpholin-4-yl-4,6-dihydrothieno[2,3-c]pyridin-7-one is sourced from PubChem (CID 42635412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).