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

C23H23N5O2 — CID 135912154

IUPAC6-[[2-(5-methyl-2-pyridinyl)phenyl]methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCc1ccc(-c2ccccc2Cc2nc3c(cnn3C3CCOCC3)c(=O)[nH]2)nc1
InChIInChI=1S/C23H23N5O2/c1-15-6-7-20(24-13-15)18-5-3-2-4-16(18)12-21-26-22-19(23(29)27-21)14-25-28(22)17-8-10-30-11-9-17/h2-7,13-14,17H,8-12H2,1H3,(H,26,27,29)
InChIKeyJWGNAANHWCHYLX-UHFFFAOYSA-N
MW401.47 g/mol
LogP3.43
Rot. Bonds4

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

6-[[2-(5-methyl-2-pyridinyl)phenyl]methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 135912154) has the molecular formula C23H23N5O2 and a molecular weight of 401.47 g/mol. Its IUPAC name is 6-[[2-(5-methyl-2-pyridinyl)phenyl]methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-[[2-(5-methyl-2-pyridinyl)phenyl]methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID135912154
Molecular FormulaC23H23N5O2
Molecular Weight401.47 g/mol
Exact Mass401.19
IUPAC Name6-[[2-(5-methyl-2-pyridinyl)phenyl]methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCc1ccc(-c2ccccc2Cc2nc3c(cnn3C3CCOCC3)c(=O)[nH]2)nc1
InChIInChI=1S/C23H23N5O2/c1-15-6-7-20(24-13-15)18-5-3-2-4-16(18)12-21-26-22-19(23(29)27-21)14-25-28(22)17-8-10-30-11-9-17/h2-7,13-14,17H,8-12H2,1H3,(H,26,27,29)
InChIKeyJWGNAANHWCHYLX-UHFFFAOYSA-N
XLogP3.43
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[[2-(5-methyl-2-pyridinyl)phenyl]methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 6-[[2-(5-methyl-2-pyridinyl)phenyl]methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 135912154) is 6-[[2-(5-methyl-2-pyridinyl)phenyl]methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 6-[[2-(5-methyl-2-pyridinyl)phenyl]methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 6-[[2-(5-methyl-2-pyridinyl)phenyl]methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one is Cc1ccc(-c2ccccc2Cc2nc3c(cnn3C3CCOCC3)c(=O)[nH]2)nc1.
What is the InChIKey of 6-[[2-(5-methyl-2-pyridinyl)phenyl]methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is JWGNAANHWCHYLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O2/c1-15-6-7-20(24-13-15)18-5-3-2-4-16(18)12-21-26-22-19(23(29)27-21)14-25-28(22)17-8-10-30-11-9-17/h2-7,13-14,17H,8-12H2,1H3,(H,26,27,29).
What are the key properties of 6-[[2-(5-methyl-2-pyridinyl)phenyl]methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one?
6-[[2-(5-methyl-2-pyridinyl)phenyl]methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 401.47 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(5-methyl-2-pyridinyl)phenyl]methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 135912154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).