1-(2-methylphenyl)-5-(2-morpholin-4-yl-2-oxoethyl)pyrazolo[5,4-d]pyrimidin-4-one

C18H19N5O3 — CID 7243598

IUPAC1-(2-methylphenyl)-5-(2-morpholin-4-yl-2-oxoethyl)pyrazolo[5,4-d]pyrimidin-4-one
SMILESCc1ccccc1-n1ncc2c(=O)n(CC(=O)N3CCOCC3)cnc21
InChIInChI=1S/C18H19N5O3/c1-13-4-2-3-5-15(13)23-17-14(10-20-23)18(25)22(12-19-17)11-16(24)21-6-8-26-9-7-21/h2-5,10,12H,6-9,11H2,1H3
InChIKeyNWWSIIYCALTNGT-UHFFFAOYSA-N
MW353.38 g/mol
LogP0.75
Rot. Bonds3

About 1-(2-methylphenyl)-5-(2-morpholin-4-yl-2-oxoethyl)pyrazolo[5,4-d]pyrimidin-4-one

1-(2-methylphenyl)-5-(2-morpholin-4-yl-2-oxoethyl)pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 7243598) has the molecular formula C18H19N5O3 and a molecular weight of 353.38 g/mol. Its IUPAC name is 1-(2-methylphenyl)-5-(2-morpholin-4-yl-2-oxoethyl)pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name1-(2-methylphenyl)-5-(2-morpholin-4-yl-2-oxoethyl)pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID7243598
Molecular FormulaC18H19N5O3
Molecular Weight353.38 g/mol
Exact Mass353.15
IUPAC Name1-(2-methylphenyl)-5-(2-morpholin-4-yl-2-oxoethyl)pyrazolo[5,4-d]pyrimidin-4-one
SMILESCc1ccccc1-n1ncc2c(=O)n(CC(=O)N3CCOCC3)cnc21
InChIInChI=1S/C18H19N5O3/c1-13-4-2-3-5-15(13)23-17-14(10-20-23)18(25)22(12-19-17)11-16(24)21-6-8-26-9-7-21/h2-5,10,12H,6-9,11H2,1H3
InChIKeyNWWSIIYCALTNGT-UHFFFAOYSA-N
XLogP0.75
TPSA82.25 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]-1-(2-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one
CID 126787944
5-[2-(azepan-1-yl)-2-oxoethyl]-1-(2-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-one
CID 1433777
1-(2-methylphenyl)-5-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 78793433
5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 7087494
5-(cyclopropylmethyl)-1-(2-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one
CID 71916816
1-(3,4-dimethylphenyl)-5-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 1433577
N-(2-bromophenyl)-2-[1-(2-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetamide
CID 78793417
5-[2-(azocan-1-yl)-2-oxoethyl]-1-(3,5-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-one
CID 27893711
1-(2-methylphenyl)-5-[(2-oxopiperidin-1-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 86786360
5-[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl]-1-(2-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one
CID 78793434
1-(4-fluorophenyl)-5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 1433541
1-methyl-5-[3-[4-(2-methylphenyl)piperazin-1-yl]-3-oxopropyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 35187304

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-5-(2-morpholin-4-yl-2-oxoethyl)pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 1-(2-methylphenyl)-5-(2-morpholin-4-yl-2-oxoethyl)pyrazolo[5,4-d]pyrimidin-4-one (CID 7243598) is 1-(2-methylphenyl)-5-(2-morpholin-4-yl-2-oxoethyl)pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 1-(2-methylphenyl)-5-(2-morpholin-4-yl-2-oxoethyl)pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 1-(2-methylphenyl)-5-(2-morpholin-4-yl-2-oxoethyl)pyrazolo[5,4-d]pyrimidin-4-one is Cc1ccccc1-n1ncc2c(=O)n(CC(=O)N3CCOCC3)cnc21.
What is the InChIKey of 1-(2-methylphenyl)-5-(2-morpholin-4-yl-2-oxoethyl)pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is NWWSIIYCALTNGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O3/c1-13-4-2-3-5-15(13)23-17-14(10-20-23)18(25)22(12-19-17)11-16(24)21-6-8-26-9-7-21/h2-5,10,12H,6-9,11H2,1H3.
What are the key properties of 1-(2-methylphenyl)-5-(2-morpholin-4-yl-2-oxoethyl)pyrazolo[5,4-d]pyrimidin-4-one?
1-(2-methylphenyl)-5-(2-morpholin-4-yl-2-oxoethyl)pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 353.38 g/mol, XLogP of 0.75, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)-5-(2-morpholin-4-yl-2-oxoethyl)pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 7243598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).