6-[(3-hydroxy-2-pyrazol-1-ylcyclobutyl)amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one

C18H17N7O2 — CID 154871489

IUPAC6-[(3-hydroxy-2-pyrazol-1-ylcyclobutyl)amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESO=c1[nH]c(NC2CC(O)C2n2cccn2)nc2c1cnn2-c1ccccc1
InChIInChI=1S/C18H17N7O2/c26-14-9-13(15(14)24-8-4-7-19-24)21-18-22-16-12(17(27)23-18)10-20-25(16)11-5-2-1-3-6-11/h1-8,10,13-15,26H,9H2,(H2,21,22,23,27)
InChIKeyCAUJSNOFXVTXKD-UHFFFAOYSA-N
MW363.38 g/mol
LogP1.09
Rot. Bonds4

About 6-[(3-hydroxy-2-pyrazol-1-ylcyclobutyl)amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one

6-[(3-hydroxy-2-pyrazol-1-ylcyclobutyl)amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 154871489) has the molecular formula C18H17N7O2 and a molecular weight of 363.38 g/mol. Its IUPAC name is 6-[(3-hydroxy-2-pyrazol-1-ylcyclobutyl)amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-[(3-hydroxy-2-pyrazol-1-ylcyclobutyl)amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID154871489
Molecular FormulaC18H17N7O2
Molecular Weight363.38 g/mol
Exact Mass363.14
IUPAC Name6-[(3-hydroxy-2-pyrazol-1-ylcyclobutyl)amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESO=c1[nH]c(NC2CC(O)C2n2cccn2)nc2c1cnn2-c1ccccc1
InChIInChI=1S/C18H17N7O2/c26-14-9-13(15(14)24-8-4-7-19-24)21-18-22-16-12(17(27)23-18)10-20-25(16)11-5-2-1-3-6-11/h1-8,10,13-15,26H,9H2,(H2,21,22,23,27)
InChIKeyCAUJSNOFXVTXKD-UHFFFAOYSA-N
XLogP1.09
TPSA113.65 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.38
LogP ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-[(3-hydroxy-2-pyrazol-1-ylcyclobutyl)amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 6-[(3-hydroxy-2-pyrazol-1-ylcyclobutyl)amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 154871489) is 6-[(3-hydroxy-2-pyrazol-1-ylcyclobutyl)amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 6-[(3-hydroxy-2-pyrazol-1-ylcyclobutyl)amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 6-[(3-hydroxy-2-pyrazol-1-ylcyclobutyl)amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one is O=c1[nH]c(NC2CC(O)C2n2cccn2)nc2c1cnn2-c1ccccc1.
What is the InChIKey of 6-[(3-hydroxy-2-pyrazol-1-ylcyclobutyl)amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is CAUJSNOFXVTXKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N7O2/c26-14-9-13(15(14)24-8-4-7-19-24)21-18-22-16-12(17(27)23-18)10-20-25(16)11-5-2-1-3-6-11/h1-8,10,13-15,26H,9H2,(H2,21,22,23,27).
What are the key properties of 6-[(3-hydroxy-2-pyrazol-1-ylcyclobutyl)amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
6-[(3-hydroxy-2-pyrazol-1-ylcyclobutyl)amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 363.38 g/mol, XLogP of 1.09, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-hydroxy-2-pyrazol-1-ylcyclobutyl)amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 154871489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).