2-(5-chloro-2-pyridinyl)-5-[4-[(3-fluoro-1-hydroxy-3-methylcyclobutyl)methoxy]-3-methoxyphenyl]-4H-thieno[2,3-c]pyrrol-6-one

C24H22ClFN2O4S — CID 58387750

IUPAC2-(5-chloro-2-pyridinyl)-5-[4-[(3-fluoro-1-hydroxy-3-methylcyclobutyl)methoxy]-3-methoxyphenyl]-4H-thieno[2,3-c]pyrrol-6-one
SMILESCOc1cc(N2Cc3cc(-c4ccc(Cl)cn4)sc3C2=O)ccc1OCC1(O)CC(C)(F)C1
InChIInChI=1S/C24H22ClFN2O4S/c1-23(26)11-24(30,12-23)13-32-18-6-4-16(8-19(18)31-2)28-10-14-7-20(33-21(14)22(28)29)17-5-3-15(25)9-27-17/h3-9,30H,10-13H2,1-2H3
InChIKeyWKWUDSPXQHOGBU-UHFFFAOYSA-N
MW488.97 g/mol
LogP5.26
Rot. Bonds6

About 2-(5-chloro-2-pyridinyl)-5-[4-[(3-fluoro-1-hydroxy-3-methylcyclobutyl)methoxy]-3-methoxyphenyl]-4H-thieno[2,3-c]pyrrol-6-one

2-(5-chloro-2-pyridinyl)-5-[4-[(3-fluoro-1-hydroxy-3-methylcyclobutyl)methoxy]-3-methoxyphenyl]-4H-thieno[2,3-c]pyrrol-6-one (PubChem CID 58387750) has the molecular formula C24H22ClFN2O4S and a molecular weight of 488.97 g/mol. Its IUPAC name is 2-(5-chloro-2-pyridinyl)-5-[4-[(3-fluoro-1-hydroxy-3-methylcyclobutyl)methoxy]-3-methoxyphenyl]-4H-thieno[2,3-c]pyrrol-6-one.

Molecular Properties

Compound Name2-(5-chloro-2-pyridinyl)-5-[4-[(3-fluoro-1-hydroxy-3-methylcyclobutyl)methoxy]-3-methoxyphenyl]-4H-thieno[2,3-c]pyrrol-6-one
PubChem CID58387750
Molecular FormulaC24H22ClFN2O4S
Molecular Weight488.97 g/mol
Exact Mass488.10
IUPAC Name2-(5-chloro-2-pyridinyl)-5-[4-[(3-fluoro-1-hydroxy-3-methylcyclobutyl)methoxy]-3-methoxyphenyl]-4H-thieno[2,3-c]pyrrol-6-one
SMILESCOc1cc(N2Cc3cc(-c4ccc(Cl)cn4)sc3C2=O)ccc1OCC1(O)CC(C)(F)C1
InChIInChI=1S/C24H22ClFN2O4S/c1-23(26)11-24(30,12-23)13-32-18-6-4-16(8-19(18)31-2)28-10-14-7-20(33-21(14)22(28)29)17-5-3-15(25)9-27-17/h3-9,30H,10-13H2,1-2H3
InChIKeyWKWUDSPXQHOGBU-UHFFFAOYSA-N
XLogP5.26
TPSA71.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.97
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-pyridinyl)-5-[4-[(3-fluoro-1-hydroxy-3-methylcyclobutyl)methoxy]-3-methoxyphenyl]-4H-thieno[2,3-c]pyrrol-6-one?
The IUPAC name of 2-(5-chloro-2-pyridinyl)-5-[4-[(3-fluoro-1-hydroxy-3-methylcyclobutyl)methoxy]-3-methoxyphenyl]-4H-thieno[2,3-c]pyrrol-6-one (CID 58387750) is 2-(5-chloro-2-pyridinyl)-5-[4-[(3-fluoro-1-hydroxy-3-methylcyclobutyl)methoxy]-3-methoxyphenyl]-4H-thieno[2,3-c]pyrrol-6-one.
What is the SMILES notation for 2-(5-chloro-2-pyridinyl)-5-[4-[(3-fluoro-1-hydroxy-3-methylcyclobutyl)methoxy]-3-methoxyphenyl]-4H-thieno[2,3-c]pyrrol-6-one?
The canonical SMILES for 2-(5-chloro-2-pyridinyl)-5-[4-[(3-fluoro-1-hydroxy-3-methylcyclobutyl)methoxy]-3-methoxyphenyl]-4H-thieno[2,3-c]pyrrol-6-one is COc1cc(N2Cc3cc(-c4ccc(Cl)cn4)sc3C2=O)ccc1OCC1(O)CC(C)(F)C1.
What is the InChIKey of 2-(5-chloro-2-pyridinyl)-5-[4-[(3-fluoro-1-hydroxy-3-methylcyclobutyl)methoxy]-3-methoxyphenyl]-4H-thieno[2,3-c]pyrrol-6-one?
The InChIKey is WKWUDSPXQHOGBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClFN2O4S/c1-23(26)11-24(30,12-23)13-32-18-6-4-16(8-19(18)31-2)28-10-14-7-20(33-21(14)22(28)29)17-5-3-15(25)9-27-17/h3-9,30H,10-13H2,1-2H3.
What are the key properties of 2-(5-chloro-2-pyridinyl)-5-[4-[(3-fluoro-1-hydroxy-3-methylcyclobutyl)methoxy]-3-methoxyphenyl]-4H-thieno[2,3-c]pyrrol-6-one?
2-(5-chloro-2-pyridinyl)-5-[4-[(3-fluoro-1-hydroxy-3-methylcyclobutyl)methoxy]-3-methoxyphenyl]-4H-thieno[2,3-c]pyrrol-6-one has a molecular weight of 488.97 g/mol, XLogP of 5.26, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-pyridinyl)-5-[4-[(3-fluoro-1-hydroxy-3-methylcyclobutyl)methoxy]-3-methoxyphenyl]-4H-thieno[2,3-c]pyrrol-6-one is sourced from PubChem (CID 58387750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).