2-hydroxy-N-[2-[3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-phenoxyphenyl]-1-oxo-1,2-thiazolidin-1-ylidene]acetamide

C25H24N4O5S — CID 163516994

IUPAC2-hydroxy-N-[2-[3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-phenoxyphenyl]-1-oxo-1,2-thiazolidin-1-ylidene]acetamide
SMILESCn1cc(-c2cc(N3CCCS3(=O)=NC(=O)CO)ccc2Oc2ccccc2)c2cc[nH]c2c1=O
InChIInChI=1S/C25H24N4O5S/c1-28-15-21(19-10-11-26-24(19)25(28)32)20-14-17(8-9-22(20)34-18-6-3-2-4-7-18)29-12-5-13-35(29,33)27-23(31)16-30/h2-4,6-11,14-15,26,30H,5,12-13,16H2,1H3
InChIKeyDHPIOHFBZBZEFY-UHFFFAOYSA-N
MW492.56 g/mol
LogP3.44
Rot. Bonds5

About 2-hydroxy-N-[2-[3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-phenoxyphenyl]-1-oxo-1,2-thiazolidin-1-ylidene]acetamide

2-hydroxy-N-[2-[3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-phenoxyphenyl]-1-oxo-1,2-thiazolidin-1-ylidene]acetamide (PubChem CID 163516994) has the molecular formula C25H24N4O5S and a molecular weight of 492.56 g/mol. Its IUPAC name is 2-hydroxy-N-[2-[3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-phenoxyphenyl]-1-oxo-1,2-thiazolidin-1-ylidene]acetamide.

Molecular Properties

Compound Name2-hydroxy-N-[2-[3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-phenoxyphenyl]-1-oxo-1,2-thiazolidin-1-ylidene]acetamide
PubChem CID163516994
Molecular FormulaC25H24N4O5S
Molecular Weight492.56 g/mol
Exact Mass492.15
IUPAC Name2-hydroxy-N-[2-[3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-phenoxyphenyl]-1-oxo-1,2-thiazolidin-1-ylidene]acetamide
SMILESCn1cc(-c2cc(N3CCCS3(=O)=NC(=O)CO)ccc2Oc2ccccc2)c2cc[nH]c2c1=O
InChIInChI=1S/C25H24N4O5S/c1-28-15-21(19-10-11-26-24(19)25(28)32)20-14-17(8-9-22(20)34-18-6-3-2-4-7-18)29-12-5-13-35(29,33)27-23(31)16-30/h2-4,6-11,14-15,26,30H,5,12-13,16H2,1H3
InChIKeyDHPIOHFBZBZEFY-UHFFFAOYSA-N
XLogP3.44
TPSA116.99 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.56
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[2-[3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-phenoxyphenyl]-1-oxo-1,2-thiazolidin-1-ylidene]acetamide?
The IUPAC name of 2-hydroxy-N-[2-[3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-phenoxyphenyl]-1-oxo-1,2-thiazolidin-1-ylidene]acetamide (CID 163516994) is 2-hydroxy-N-[2-[3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-phenoxyphenyl]-1-oxo-1,2-thiazolidin-1-ylidene]acetamide.
What is the SMILES notation for 2-hydroxy-N-[2-[3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-phenoxyphenyl]-1-oxo-1,2-thiazolidin-1-ylidene]acetamide?
The canonical SMILES for 2-hydroxy-N-[2-[3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-phenoxyphenyl]-1-oxo-1,2-thiazolidin-1-ylidene]acetamide is Cn1cc(-c2cc(N3CCCS3(=O)=NC(=O)CO)ccc2Oc2ccccc2)c2cc[nH]c2c1=O.
What is the InChIKey of 2-hydroxy-N-[2-[3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-phenoxyphenyl]-1-oxo-1,2-thiazolidin-1-ylidene]acetamide?
The InChIKey is DHPIOHFBZBZEFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O5S/c1-28-15-21(19-10-11-26-24(19)25(28)32)20-14-17(8-9-22(20)34-18-6-3-2-4-7-18)29-12-5-13-35(29,33)27-23(31)16-30/h2-4,6-11,14-15,26,30H,5,12-13,16H2,1H3.
What are the key properties of 2-hydroxy-N-[2-[3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-phenoxyphenyl]-1-oxo-1,2-thiazolidin-1-ylidene]acetamide?
2-hydroxy-N-[2-[3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-phenoxyphenyl]-1-oxo-1,2-thiazolidin-1-ylidene]acetamide has a molecular weight of 492.56 g/mol, XLogP of 3.44, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[2-[3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-phenoxyphenyl]-1-oxo-1,2-thiazolidin-1-ylidene]acetamide is sourced from PubChem (CID 163516994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).