1-(oxan-4-yl)-6-[(2-pyridin-2-ylphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one

C22H21N5O2 — CID 135912130

IUPAC1-(oxan-4-yl)-6-[(2-pyridin-2-ylphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESO=c1[nH]c(Cc2ccccc2-c2ccccn2)nc2c1cnn2C1CCOCC1
InChIInChI=1S/C22H21N5O2/c28-22-18-14-24-27(16-8-11-29-12-9-16)21(18)25-20(26-22)13-15-5-1-2-6-17(15)19-7-3-4-10-23-19/h1-7,10,14,16H,8-9,11-13H2,(H,25,26,28)
InChIKeyVBSXGNKGCFCYLD-UHFFFAOYSA-N
MW387.44 g/mol
LogP3.12
Rot. Bonds4

About 1-(oxan-4-yl)-6-[(2-pyridin-2-ylphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one

1-(oxan-4-yl)-6-[(2-pyridin-2-ylphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 135912130) has the molecular formula C22H21N5O2 and a molecular weight of 387.44 g/mol. Its IUPAC name is 1-(oxan-4-yl)-6-[(2-pyridin-2-ylphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name1-(oxan-4-yl)-6-[(2-pyridin-2-ylphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID135912130
Molecular FormulaC22H21N5O2
Molecular Weight387.44 g/mol
Exact Mass387.17
IUPAC Name1-(oxan-4-yl)-6-[(2-pyridin-2-ylphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESO=c1[nH]c(Cc2ccccc2-c2ccccn2)nc2c1cnn2C1CCOCC1
InChIInChI=1S/C22H21N5O2/c28-22-18-14-24-27(16-8-11-29-12-9-16)21(18)25-20(26-22)13-15-5-1-2-6-17(15)19-7-3-4-10-23-19/h1-7,10,14,16H,8-9,11-13H2,(H,25,26,28)
InChIKeyVBSXGNKGCFCYLD-UHFFFAOYSA-N
XLogP3.12
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(oxan-4-yl)-6-[(2-pyridin-2-ylphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 1-(oxan-4-yl)-6-[(2-pyridin-2-ylphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 135912130) is 1-(oxan-4-yl)-6-[(2-pyridin-2-ylphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 1-(oxan-4-yl)-6-[(2-pyridin-2-ylphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 1-(oxan-4-yl)-6-[(2-pyridin-2-ylphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one is O=c1[nH]c(Cc2ccccc2-c2ccccn2)nc2c1cnn2C1CCOCC1.
What is the InChIKey of 1-(oxan-4-yl)-6-[(2-pyridin-2-ylphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is VBSXGNKGCFCYLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O2/c28-22-18-14-24-27(16-8-11-29-12-9-16)21(18)25-20(26-22)13-15-5-1-2-6-17(15)19-7-3-4-10-23-19/h1-7,10,14,16H,8-9,11-13H2,(H,25,26,28).
What are the key properties of 1-(oxan-4-yl)-6-[(2-pyridin-2-ylphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
1-(oxan-4-yl)-6-[(2-pyridin-2-ylphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 387.44 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-4-yl)-6-[(2-pyridin-2-ylphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 135912130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).