8-ethyl-5-oxo-2-piperazin-1-ylpyrido[2,3-d]pyrimidine-6-carboxylic acid;2-hydroxy-2-phenylacetic acid

C22H25N5O6 — CID 174466168

IUPAC8-ethyl-5-oxo-2-piperazin-1-ylpyrido[2,3-d]pyrimidine-6-carboxylic acid;2-hydroxy-2-phenylacetic acid
SMILESCCn1cc(C(=O)O)c(=O)c2cnc(N3CCNCC3)nc21.O=C(O)C(O)c1ccccc1
InChIInChI=1S/C14H17N5O3.C8H8O3/c1-2-18-8-10(13(21)22)11(20)9-7-16-14(17-12(9)18)19-5-3-15-4-6-19;9-7(8(10)11)6-4-2-1-3-5-6/h7-8,15H,2-6H2,1H3,(H,21,22);1-5,7,9H,(H,10,11)
InChIKeyVFVLPGPTINBGGE-UHFFFAOYSA-N
MW455.47 g/mol
LogP0.72
Rot. Bonds5

About 8-ethyl-5-oxo-2-piperazin-1-ylpyrido[2,3-d]pyrimidine-6-carboxylic acid;2-hydroxy-2-phenylacetic acid

8-ethyl-5-oxo-2-piperazin-1-ylpyrido[2,3-d]pyrimidine-6-carboxylic acid;2-hydroxy-2-phenylacetic acid (PubChem CID 174466168) has the molecular formula C22H25N5O6 and a molecular weight of 455.47 g/mol. Its IUPAC name is 8-ethyl-5-oxo-2-piperazin-1-ylpyrido[2,3-d]pyrimidine-6-carboxylic acid;2-hydroxy-2-phenylacetic acid.

Molecular Properties

Compound Name8-ethyl-5-oxo-2-piperazin-1-ylpyrido[2,3-d]pyrimidine-6-carboxylic acid;2-hydroxy-2-phenylacetic acid
PubChem CID174466168
Molecular FormulaC22H25N5O6
Molecular Weight455.47 g/mol
Exact Mass455.18
IUPAC Name8-ethyl-5-oxo-2-piperazin-1-ylpyrido[2,3-d]pyrimidine-6-carboxylic acid;2-hydroxy-2-phenylacetic acid
SMILESCCn1cc(C(=O)O)c(=O)c2cnc(N3CCNCC3)nc21.O=C(O)C(O)c1ccccc1
InChIInChI=1S/C14H17N5O3.C8H8O3/c1-2-18-8-10(13(21)22)11(20)9-7-16-14(17-12(9)18)19-5-3-15-4-6-19;9-7(8(10)11)6-4-2-1-3-5-6/h7-8,15H,2-6H2,1H3,(H,21,22);1-5,7,9H,(H,10,11)
InChIKeyVFVLPGPTINBGGE-UHFFFAOYSA-N
XLogP0.72
TPSA157.88 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.47
LogP ≤ 50.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 8-ethyl-5-oxo-2-piperazin-1-ylpyrido[2,3-d]pyrimidine-6-carboxylic acid;2-hydroxy-2-phenylacetic acid?
The IUPAC name of 8-ethyl-5-oxo-2-piperazin-1-ylpyrido[2,3-d]pyrimidine-6-carboxylic acid;2-hydroxy-2-phenylacetic acid (CID 174466168) is 8-ethyl-5-oxo-2-piperazin-1-ylpyrido[2,3-d]pyrimidine-6-carboxylic acid;2-hydroxy-2-phenylacetic acid.
What is the SMILES notation for 8-ethyl-5-oxo-2-piperazin-1-ylpyrido[2,3-d]pyrimidine-6-carboxylic acid;2-hydroxy-2-phenylacetic acid?
The canonical SMILES for 8-ethyl-5-oxo-2-piperazin-1-ylpyrido[2,3-d]pyrimidine-6-carboxylic acid;2-hydroxy-2-phenylacetic acid is CCn1cc(C(=O)O)c(=O)c2cnc(N3CCNCC3)nc21.O=C(O)C(O)c1ccccc1.
What is the InChIKey of 8-ethyl-5-oxo-2-piperazin-1-ylpyrido[2,3-d]pyrimidine-6-carboxylic acid;2-hydroxy-2-phenylacetic acid?
The InChIKey is VFVLPGPTINBGGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O3.C8H8O3/c1-2-18-8-10(13(21)22)11(20)9-7-16-14(17-12(9)18)19-5-3-15-4-6-19;9-7(8(10)11)6-4-2-1-3-5-6/h7-8,15H,2-6H2,1H3,(H,21,22);1-5,7,9H,(H,10,11).
What are the key properties of 8-ethyl-5-oxo-2-piperazin-1-ylpyrido[2,3-d]pyrimidine-6-carboxylic acid;2-hydroxy-2-phenylacetic acid?
8-ethyl-5-oxo-2-piperazin-1-ylpyrido[2,3-d]pyrimidine-6-carboxylic acid;2-hydroxy-2-phenylacetic acid has a molecular weight of 455.47 g/mol, XLogP of 0.72, 5 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-5-oxo-2-piperazin-1-ylpyrido[2,3-d]pyrimidine-6-carboxylic acid;2-hydroxy-2-phenylacetic acid is sourced from PubChem (CID 174466168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).