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

C23H19ClF2N2O4S — CID 45280613

IUPAC2-(5-chloro-2-pyridinyl)-5-[4-[(3,3-difluoro-1-hydroxycyclobutyl)methoxy]-3-methoxyphenyl]-4H-thieno[2,3-c]pyrrol-6-one
SMILESCOc1cc(N2Cc3cc(-c4ccc(Cl)cn4)sc3C2=O)ccc1OCC1(O)CC(F)(F)C1
InChIInChI=1S/C23H19ClF2N2O4S/c1-31-18-7-15(3-5-17(18)32-12-22(30)10-23(25,26)11-22)28-9-13-6-19(33-20(13)21(28)29)16-4-2-14(24)8-27-16/h2-8,30H,9-12H2,1H3
InChIKeyUTGJLAUTGQVDBT-UHFFFAOYSA-N
MW492.93 g/mol
LogP5.17
Rot. Bonds6

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

2-(5-chloro-2-pyridinyl)-5-[4-[(3,3-difluoro-1-hydroxycyclobutyl)methoxy]-3-methoxyphenyl]-4H-thieno[2,3-c]pyrrol-6-one (PubChem CID 45280613) has the molecular formula C23H19ClF2N2O4S and a molecular weight of 492.93 g/mol. Its IUPAC name is 2-(5-chloro-2-pyridinyl)-5-[4-[(3,3-difluoro-1-hydroxycyclobutyl)methoxy]-3-methoxyphenyl]-4H-thieno[2,3-c]pyrrol-6-one.

Molecular Properties

Compound Name2-(5-chloro-2-pyridinyl)-5-[4-[(3,3-difluoro-1-hydroxycyclobutyl)methoxy]-3-methoxyphenyl]-4H-thieno[2,3-c]pyrrol-6-one
PubChem CID45280613
Molecular FormulaC23H19ClF2N2O4S
Molecular Weight492.93 g/mol
Exact Mass492.07
IUPAC Name2-(5-chloro-2-pyridinyl)-5-[4-[(3,3-difluoro-1-hydroxycyclobutyl)methoxy]-3-methoxyphenyl]-4H-thieno[2,3-c]pyrrol-6-one
SMILESCOc1cc(N2Cc3cc(-c4ccc(Cl)cn4)sc3C2=O)ccc1OCC1(O)CC(F)(F)C1
InChIInChI=1S/C23H19ClF2N2O4S/c1-31-18-7-15(3-5-17(18)32-12-22(30)10-23(25,26)11-22)28-9-13-6-19(33-20(13)21(28)29)16-4-2-14(24)8-27-16/h2-8,30H,9-12H2,1H3
InChIKeyUTGJLAUTGQVDBT-UHFFFAOYSA-N
XLogP5.17
TPSA71.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.93
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(5-chloro-2-pyridinyl)-5-[4-[(3,3-difluoro-1-hydroxycyclobutyl)methoxy]-3-methoxyphenyl]-4H-thieno[2,3-c]pyrrol-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-pyridinyl)-5-[4-[(3,3-difluoro-1-hydroxycyclobutyl)methoxy]-3-methoxyphenyl]-4H-thieno[2,3-c]pyrrol-6-one?
The IUPAC name of 2-(5-chloro-2-pyridinyl)-5-[4-[(3,3-difluoro-1-hydroxycyclobutyl)methoxy]-3-methoxyphenyl]-4H-thieno[2,3-c]pyrrol-6-one (CID 45280613) is 2-(5-chloro-2-pyridinyl)-5-[4-[(3,3-difluoro-1-hydroxycyclobutyl)methoxy]-3-methoxyphenyl]-4H-thieno[2,3-c]pyrrol-6-one.
What is the SMILES notation for 2-(5-chloro-2-pyridinyl)-5-[4-[(3,3-difluoro-1-hydroxycyclobutyl)methoxy]-3-methoxyphenyl]-4H-thieno[2,3-c]pyrrol-6-one?
The canonical SMILES for 2-(5-chloro-2-pyridinyl)-5-[4-[(3,3-difluoro-1-hydroxycyclobutyl)methoxy]-3-methoxyphenyl]-4H-thieno[2,3-c]pyrrol-6-one is COc1cc(N2Cc3cc(-c4ccc(Cl)cn4)sc3C2=O)ccc1OCC1(O)CC(F)(F)C1.
What is the InChIKey of 2-(5-chloro-2-pyridinyl)-5-[4-[(3,3-difluoro-1-hydroxycyclobutyl)methoxy]-3-methoxyphenyl]-4H-thieno[2,3-c]pyrrol-6-one?
The InChIKey is UTGJLAUTGQVDBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClF2N2O4S/c1-31-18-7-15(3-5-17(18)32-12-22(30)10-23(25,26)11-22)28-9-13-6-19(33-20(13)21(28)29)16-4-2-14(24)8-27-16/h2-8,30H,9-12H2,1H3.
What are the key properties of 2-(5-chloro-2-pyridinyl)-5-[4-[(3,3-difluoro-1-hydroxycyclobutyl)methoxy]-3-methoxyphenyl]-4H-thieno[2,3-c]pyrrol-6-one?
2-(5-chloro-2-pyridinyl)-5-[4-[(3,3-difluoro-1-hydroxycyclobutyl)methoxy]-3-methoxyphenyl]-4H-thieno[2,3-c]pyrrol-6-one has a molecular weight of 492.93 g/mol, XLogP of 5.17, 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-[(3,3-difluoro-1-hydroxycyclobutyl)methoxy]-3-methoxyphenyl]-4H-thieno[2,3-c]pyrrol-6-one is sourced from PubChem (CID 45280613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).