8-hydroxy-2-(2-methylpyrazolo[1,5-a]quinazolin-5-yl)-2,6-diazaspiro[3.5]nonan-5-one

C18H19N5O2 — CID 138050625

IUPAC8-hydroxy-2-(2-methylpyrazolo[1,5-a]quinazolin-5-yl)-2,6-diazaspiro[3.5]nonan-5-one
SMILESCc1cc2nc(N3CC4(CC(O)CNC4=O)C3)c3ccccc3n2n1
InChIInChI=1S/C18H19N5O2/c1-11-6-15-20-16(13-4-2-3-5-14(13)23(15)21-11)22-9-18(10-22)7-12(24)8-19-17(18)25/h2-6,12,24H,7-10H2,1H3,(H,19,25)
InChIKeyGJCMRLPLKABYSK-UHFFFAOYSA-N
MW337.38 g/mol
LogP0.88
Rot. Bonds1

About 8-hydroxy-2-(2-methylpyrazolo[1,5-a]quinazolin-5-yl)-2,6-diazaspiro[3.5]nonan-5-one

8-hydroxy-2-(2-methylpyrazolo[1,5-a]quinazolin-5-yl)-2,6-diazaspiro[3.5]nonan-5-one (PubChem CID 138050625) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is 8-hydroxy-2-(2-methylpyrazolo[1,5-a]quinazolin-5-yl)-2,6-diazaspiro[3.5]nonan-5-one.

Molecular Properties

Compound Name8-hydroxy-2-(2-methylpyrazolo[1,5-a]quinazolin-5-yl)-2,6-diazaspiro[3.5]nonan-5-one
PubChem CID138050625
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC Name8-hydroxy-2-(2-methylpyrazolo[1,5-a]quinazolin-5-yl)-2,6-diazaspiro[3.5]nonan-5-one
SMILESCc1cc2nc(N3CC4(CC(O)CNC4=O)C3)c3ccccc3n2n1
InChIInChI=1S/C18H19N5O2/c1-11-6-15-20-16(13-4-2-3-5-14(13)23(15)21-11)22-9-18(10-22)7-12(24)8-19-17(18)25/h2-6,12,24H,7-10H2,1H3,(H,19,25)
InChIKeyGJCMRLPLKABYSK-UHFFFAOYSA-N
XLogP0.88
TPSA82.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-2-(2-methylpyrazolo[1,5-a]quinazolin-5-yl)-2,6-diazaspiro[3.5]nonan-5-one?
The IUPAC name of 8-hydroxy-2-(2-methylpyrazolo[1,5-a]quinazolin-5-yl)-2,6-diazaspiro[3.5]nonan-5-one (CID 138050625) is 8-hydroxy-2-(2-methylpyrazolo[1,5-a]quinazolin-5-yl)-2,6-diazaspiro[3.5]nonan-5-one.
What is the SMILES notation for 8-hydroxy-2-(2-methylpyrazolo[1,5-a]quinazolin-5-yl)-2,6-diazaspiro[3.5]nonan-5-one?
The canonical SMILES for 8-hydroxy-2-(2-methylpyrazolo[1,5-a]quinazolin-5-yl)-2,6-diazaspiro[3.5]nonan-5-one is Cc1cc2nc(N3CC4(CC(O)CNC4=O)C3)c3ccccc3n2n1.
What is the InChIKey of 8-hydroxy-2-(2-methylpyrazolo[1,5-a]quinazolin-5-yl)-2,6-diazaspiro[3.5]nonan-5-one?
The InChIKey is GJCMRLPLKABYSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2/c1-11-6-15-20-16(13-4-2-3-5-14(13)23(15)21-11)22-9-18(10-22)7-12(24)8-19-17(18)25/h2-6,12,24H,7-10H2,1H3,(H,19,25).
What are the key properties of 8-hydroxy-2-(2-methylpyrazolo[1,5-a]quinazolin-5-yl)-2,6-diazaspiro[3.5]nonan-5-one?
8-hydroxy-2-(2-methylpyrazolo[1,5-a]quinazolin-5-yl)-2,6-diazaspiro[3.5]nonan-5-one has a molecular weight of 337.38 g/mol, XLogP of 0.88, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-2-(2-methylpyrazolo[1,5-a]quinazolin-5-yl)-2,6-diazaspiro[3.5]nonan-5-one is sourced from PubChem (CID 138050625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).