7-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-oxo-3-phenylmethoxypyrido[1,2-a]pyrimidine-2-carboxylic acid

C19H17N3O6S — CID 91443533

IUPAC7-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-oxo-3-phenylmethoxypyrido[1,2-a]pyrimidine-2-carboxylic acid
SMILESO=C(O)c1nc2ccc(N3CCCS3(=O)=O)cn2c(=O)c1OCc1ccccc1
InChIInChI=1S/C19H17N3O6S/c23-18-17(28-12-13-5-2-1-3-6-13)16(19(24)25)20-15-8-7-14(11-21(15)18)22-9-4-10-29(22,26)27/h1-3,5-8,11H,4,9-10,12H2,(H,24,25)
InChIKeyZEXCIJIDGBIAHI-UHFFFAOYSA-N
MW415.43 g/mol
LogP1.51
Rot. Bonds5

About 7-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-oxo-3-phenylmethoxypyrido[1,2-a]pyrimidine-2-carboxylic acid

7-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-oxo-3-phenylmethoxypyrido[1,2-a]pyrimidine-2-carboxylic acid (PubChem CID 91443533) has the molecular formula C19H17N3O6S and a molecular weight of 415.43 g/mol. Its IUPAC name is 7-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-oxo-3-phenylmethoxypyrido[1,2-a]pyrimidine-2-carboxylic acid.

Molecular Properties

Compound Name7-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-oxo-3-phenylmethoxypyrido[1,2-a]pyrimidine-2-carboxylic acid
PubChem CID91443533
Molecular FormulaC19H17N3O6S
Molecular Weight415.43 g/mol
Exact Mass415.08
IUPAC Name7-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-oxo-3-phenylmethoxypyrido[1,2-a]pyrimidine-2-carboxylic acid
SMILESO=C(O)c1nc2ccc(N3CCCS3(=O)=O)cn2c(=O)c1OCc1ccccc1
InChIInChI=1S/C19H17N3O6S/c23-18-17(28-12-13-5-2-1-3-6-13)16(19(24)25)20-15-8-7-14(11-21(15)18)22-9-4-10-29(22,26)27/h1-3,5-8,11H,4,9-10,12H2,(H,24,25)
InChIKeyZEXCIJIDGBIAHI-UHFFFAOYSA-N
XLogP1.51
TPSA118.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.43
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-oxo-3-phenylmethoxypyrido[1,2-a]pyrimidine-2-carboxylic acid?
The IUPAC name of 7-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-oxo-3-phenylmethoxypyrido[1,2-a]pyrimidine-2-carboxylic acid (CID 91443533) is 7-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-oxo-3-phenylmethoxypyrido[1,2-a]pyrimidine-2-carboxylic acid.
What is the SMILES notation for 7-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-oxo-3-phenylmethoxypyrido[1,2-a]pyrimidine-2-carboxylic acid?
The canonical SMILES for 7-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-oxo-3-phenylmethoxypyrido[1,2-a]pyrimidine-2-carboxylic acid is O=C(O)c1nc2ccc(N3CCCS3(=O)=O)cn2c(=O)c1OCc1ccccc1.
What is the InChIKey of 7-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-oxo-3-phenylmethoxypyrido[1,2-a]pyrimidine-2-carboxylic acid?
The InChIKey is ZEXCIJIDGBIAHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O6S/c23-18-17(28-12-13-5-2-1-3-6-13)16(19(24)25)20-15-8-7-14(11-21(15)18)22-9-4-10-29(22,26)27/h1-3,5-8,11H,4,9-10,12H2,(H,24,25).
What are the key properties of 7-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-oxo-3-phenylmethoxypyrido[1,2-a]pyrimidine-2-carboxylic acid?
7-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-oxo-3-phenylmethoxypyrido[1,2-a]pyrimidine-2-carboxylic acid has a molecular weight of 415.43 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-oxo-3-phenylmethoxypyrido[1,2-a]pyrimidine-2-carboxylic acid is sourced from PubChem (CID 91443533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).