6-methyl-5-(2-propoxyphenyl)-3-propyl-2-pyrazin-2-ylpyrazolo[4,3-d]pyrimidin-7-one

C22H24N6O2 — CID 152597425

IUPAC6-methyl-5-(2-propoxyphenyl)-3-propyl-2-pyrazin-2-ylpyrazolo[4,3-d]pyrimidin-7-one
SMILESCCCOc1ccccc1-c1nc2c(CCC)n(-c3cnccn3)nc2c(=O)n1C
InChIInChI=1S/C22H24N6O2/c1-4-8-16-19-20(26-28(16)18-14-23-11-12-24-18)22(29)27(3)21(25-19)15-9-6-7-10-17(15)30-13-5-2/h6-7,9-12,14H,4-5,8,13H2,1-3H3
InChIKeyYWUHVCKMCOSIOV-UHFFFAOYSA-N
MW404.47 g/mol
LogP3.32
Rot. Bonds7

About 6-methyl-5-(2-propoxyphenyl)-3-propyl-2-pyrazin-2-ylpyrazolo[4,3-d]pyrimidin-7-one

6-methyl-5-(2-propoxyphenyl)-3-propyl-2-pyrazin-2-ylpyrazolo[4,3-d]pyrimidin-7-one (PubChem CID 152597425) has the molecular formula C22H24N6O2 and a molecular weight of 404.47 g/mol. Its IUPAC name is 6-methyl-5-(2-propoxyphenyl)-3-propyl-2-pyrazin-2-ylpyrazolo[4,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-methyl-5-(2-propoxyphenyl)-3-propyl-2-pyrazin-2-ylpyrazolo[4,3-d]pyrimidin-7-one
PubChem CID152597425
Molecular FormulaC22H24N6O2
Molecular Weight404.47 g/mol
Exact Mass404.20
IUPAC Name6-methyl-5-(2-propoxyphenyl)-3-propyl-2-pyrazin-2-ylpyrazolo[4,3-d]pyrimidin-7-one
SMILESCCCOc1ccccc1-c1nc2c(CCC)n(-c3cnccn3)nc2c(=O)n1C
InChIInChI=1S/C22H24N6O2/c1-4-8-16-19-20(26-28(16)18-14-23-11-12-24-18)22(29)27(3)21(25-19)15-9-6-7-10-17(15)30-13-5-2/h6-7,9-12,14H,4-5,8,13H2,1-3H3
InChIKeyYWUHVCKMCOSIOV-UHFFFAOYSA-N
XLogP3.32
TPSA87.72 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-(2-propoxyphenyl)-3-propyl-2-pyrazin-2-ylpyrazolo[4,3-d]pyrimidin-7-one?
The IUPAC name of 6-methyl-5-(2-propoxyphenyl)-3-propyl-2-pyrazin-2-ylpyrazolo[4,3-d]pyrimidin-7-one (CID 152597425) is 6-methyl-5-(2-propoxyphenyl)-3-propyl-2-pyrazin-2-ylpyrazolo[4,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-methyl-5-(2-propoxyphenyl)-3-propyl-2-pyrazin-2-ylpyrazolo[4,3-d]pyrimidin-7-one?
The canonical SMILES for 6-methyl-5-(2-propoxyphenyl)-3-propyl-2-pyrazin-2-ylpyrazolo[4,3-d]pyrimidin-7-one is CCCOc1ccccc1-c1nc2c(CCC)n(-c3cnccn3)nc2c(=O)n1C.
What is the InChIKey of 6-methyl-5-(2-propoxyphenyl)-3-propyl-2-pyrazin-2-ylpyrazolo[4,3-d]pyrimidin-7-one?
The InChIKey is YWUHVCKMCOSIOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O2/c1-4-8-16-19-20(26-28(16)18-14-23-11-12-24-18)22(29)27(3)21(25-19)15-9-6-7-10-17(15)30-13-5-2/h6-7,9-12,14H,4-5,8,13H2,1-3H3.
What are the key properties of 6-methyl-5-(2-propoxyphenyl)-3-propyl-2-pyrazin-2-ylpyrazolo[4,3-d]pyrimidin-7-one?
6-methyl-5-(2-propoxyphenyl)-3-propyl-2-pyrazin-2-ylpyrazolo[4,3-d]pyrimidin-7-one has a molecular weight of 404.47 g/mol, XLogP of 3.32, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-(2-propoxyphenyl)-3-propyl-2-pyrazin-2-ylpyrazolo[4,3-d]pyrimidin-7-one is sourced from PubChem (CID 152597425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).