4-[5-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-2-phenoxyphenyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one

C24H23N3O4S — CID 71621707

IUPAC4-[5-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-2-phenoxyphenyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one
SMILESCn1cc(-c2cc(CN3CCCS3(=O)=O)ccc2Oc2ccccc2)c2cc[nH]c2c1=O
InChIInChI=1S/C24H23N3O4S/c1-26-16-21(19-10-11-25-23(19)24(26)28)20-14-17(15-27-12-5-13-32(27,29)30)8-9-22(20)31-18-6-3-2-4-7-18/h2-4,6-11,14,16,25H,5,12-13,15H2,1H3
InChIKeyVTTCUXGVQMMPBI-UHFFFAOYSA-N
MW449.53 g/mol
LogP3.86
Rot. Bonds5

About 4-[5-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-2-phenoxyphenyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one

4-[5-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-2-phenoxyphenyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one (PubChem CID 71621707) has the molecular formula C24H23N3O4S and a molecular weight of 449.53 g/mol. Its IUPAC name is 4-[5-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-2-phenoxyphenyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one.

Molecular Properties

Compound Name4-[5-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-2-phenoxyphenyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one
PubChem CID71621707
Molecular FormulaC24H23N3O4S
Molecular Weight449.53 g/mol
Exact Mass449.14
IUPAC Name4-[5-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-2-phenoxyphenyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one
SMILESCn1cc(-c2cc(CN3CCCS3(=O)=O)ccc2Oc2ccccc2)c2cc[nH]c2c1=O
InChIInChI=1S/C24H23N3O4S/c1-26-16-21(19-10-11-25-23(19)24(26)28)20-14-17(15-27-12-5-13-32(27,29)30)8-9-22(20)31-18-6-3-2-4-7-18/h2-4,6-11,14,16,25H,5,12-13,15H2,1H3
InChIKeyVTTCUXGVQMMPBI-UHFFFAOYSA-N
XLogP3.86
TPSA84.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.53
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-2-phenoxyphenyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one?
The IUPAC name of 4-[5-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-2-phenoxyphenyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one (CID 71621707) is 4-[5-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-2-phenoxyphenyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one.
What is the SMILES notation for 4-[5-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-2-phenoxyphenyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one?
The canonical SMILES for 4-[5-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-2-phenoxyphenyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one is Cn1cc(-c2cc(CN3CCCS3(=O)=O)ccc2Oc2ccccc2)c2cc[nH]c2c1=O.
What is the InChIKey of 4-[5-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-2-phenoxyphenyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one?
The InChIKey is VTTCUXGVQMMPBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O4S/c1-26-16-21(19-10-11-25-23(19)24(26)28)20-14-17(15-27-12-5-13-32(27,29)30)8-9-22(20)31-18-6-3-2-4-7-18/h2-4,6-11,14,16,25H,5,12-13,15H2,1H3.
What are the key properties of 4-[5-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-2-phenoxyphenyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one?
4-[5-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-2-phenoxyphenyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one has a molecular weight of 449.53 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-2-phenoxyphenyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one is sourced from PubChem (CID 71621707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).