7'-hydroxy-2,2',4'-trioxospiro[1H-indole-3,5'-1H-pyrano[2,3-d]pyrimidine]-6'-carbonitrile

C15H8N4O5 — CID 17385502

IUPAC7'-hydroxy-2,2',4'-trioxospiro[1H-indole-3,5'-1H-pyrano[2,3-d]pyrimidine]-6'-carbonitrile
SMILESN#CC1=C(O)Oc2[nH]c(=O)[nH]c(=O)c2C12C(=O)Nc1ccccc12
InChIInChI=1S/C15H8N4O5/c16-5-7-12(21)24-11-9(10(20)18-14(23)19-11)15(7)6-3-1-2-4-8(6)17-13(15)22/h1-4,21H,(H,17,22)(H2,18,19,20,23)
InChIKeyFFZAXJMZPJXKRL-UHFFFAOYSA-N
MW324.25 g/mol
LogP-0.01
Rot. Bonds

About 7'-hydroxy-2,2',4'-trioxospiro[1H-indole-3,5'-1H-pyrano[2,3-d]pyrimidine]-6'-carbonitrile

7'-hydroxy-2,2',4'-trioxospiro[1H-indole-3,5'-1H-pyrano[2,3-d]pyrimidine]-6'-carbonitrile (PubChem CID 17385502) has the molecular formula C15H8N4O5 and a molecular weight of 324.25 g/mol. Its IUPAC name is 7'-hydroxy-2,2',4'-trioxospiro[1H-indole-3,5'-1H-pyrano[2,3-d]pyrimidine]-6'-carbonitrile.

Molecular Properties

Compound Name7'-hydroxy-2,2',4'-trioxospiro[1H-indole-3,5'-1H-pyrano[2,3-d]pyrimidine]-6'-carbonitrile
PubChem CID17385502
Molecular FormulaC15H8N4O5
Molecular Weight324.25 g/mol
Exact Mass324.05
IUPAC Name7'-hydroxy-2,2',4'-trioxospiro[1H-indole-3,5'-1H-pyrano[2,3-d]pyrimidine]-6'-carbonitrile
SMILESN#CC1=C(O)Oc2[nH]c(=O)[nH]c(=O)c2C12C(=O)Nc1ccccc12
InChIInChI=1S/C15H8N4O5/c16-5-7-12(21)24-11-9(10(20)18-14(23)19-11)15(7)6-3-1-2-4-8(6)17-13(15)22/h1-4,21H,(H,17,22)(H2,18,19,20,23)
InChIKeyFFZAXJMZPJXKRL-UHFFFAOYSA-N
XLogP-0.01
TPSA148.07 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.25
LogP ≤ 5-0.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7'-hydroxy-2,2',4'-trioxospiro[1H-indole-3,5'-1H-pyrano[2,3-d]pyrimidine]-6'-carbonitrile?
The IUPAC name of 7'-hydroxy-2,2',4'-trioxospiro[1H-indole-3,5'-1H-pyrano[2,3-d]pyrimidine]-6'-carbonitrile (CID 17385502) is 7'-hydroxy-2,2',4'-trioxospiro[1H-indole-3,5'-1H-pyrano[2,3-d]pyrimidine]-6'-carbonitrile.
What is the SMILES notation for 7'-hydroxy-2,2',4'-trioxospiro[1H-indole-3,5'-1H-pyrano[2,3-d]pyrimidine]-6'-carbonitrile?
The canonical SMILES for 7'-hydroxy-2,2',4'-trioxospiro[1H-indole-3,5'-1H-pyrano[2,3-d]pyrimidine]-6'-carbonitrile is N#CC1=C(O)Oc2[nH]c(=O)[nH]c(=O)c2C12C(=O)Nc1ccccc12.
What is the InChIKey of 7'-hydroxy-2,2',4'-trioxospiro[1H-indole-3,5'-1H-pyrano[2,3-d]pyrimidine]-6'-carbonitrile?
The InChIKey is FFZAXJMZPJXKRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8N4O5/c16-5-7-12(21)24-11-9(10(20)18-14(23)19-11)15(7)6-3-1-2-4-8(6)17-13(15)22/h1-4,21H,(H,17,22)(H2,18,19,20,23).
What are the key properties of 7'-hydroxy-2,2',4'-trioxospiro[1H-indole-3,5'-1H-pyrano[2,3-d]pyrimidine]-6'-carbonitrile?
7'-hydroxy-2,2',4'-trioxospiro[1H-indole-3,5'-1H-pyrano[2,3-d]pyrimidine]-6'-carbonitrile has a molecular weight of 324.25 g/mol, XLogP of -0.01, 0 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7'-hydroxy-2,2',4'-trioxospiro[1H-indole-3,5'-1H-pyrano[2,3-d]pyrimidine]-6'-carbonitrile is sourced from PubChem (CID 17385502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).