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

C19H21N5O3 — CID 126787944

IUPAC5-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]-1-(2-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one
SMILESCc1ccccc1-n1ncc2c(=O)n(CC(=O)N3CCOC(C)C3)cnc21
InChIInChI=1S/C19H21N5O3/c1-13-5-3-4-6-16(13)24-18-15(9-21-24)19(26)23(12-20-18)11-17(25)22-7-8-27-14(2)10-22/h3-6,9,12,14H,7-8,10-11H2,1-2H3
InChIKeyQXDJMONOYJVFON-UHFFFAOYSA-N
MW367.41 g/mol
LogP1.14
Rot. Bonds3

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

5-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]-1-(2-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 126787944) has the molecular formula C19H21N5O3 and a molecular weight of 367.41 g/mol. Its IUPAC name is 5-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]-1-(2-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]-1-(2-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID126787944
Molecular FormulaC19H21N5O3
Molecular Weight367.41 g/mol
Exact Mass367.16
IUPAC Name5-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]-1-(2-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one
SMILESCc1ccccc1-n1ncc2c(=O)n(CC(=O)N3CCOC(C)C3)cnc21
InChIInChI=1S/C19H21N5O3/c1-13-5-3-4-6-16(13)24-18-15(9-21-24)19(26)23(12-20-18)11-17(25)22-7-8-27-14(2)10-22/h3-6,9,12,14H,7-8,10-11H2,1-2H3
InChIKeyQXDJMONOYJVFON-UHFFFAOYSA-N
XLogP1.14
TPSA82.25 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]-1-(2-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 5-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]-1-(2-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one (CID 126787944) is 5-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]-1-(2-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 5-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]-1-(2-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 5-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]-1-(2-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one is Cc1ccccc1-n1ncc2c(=O)n(CC(=O)N3CCOC(C)C3)cnc21.
What is the InChIKey of 5-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]-1-(2-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is QXDJMONOYJVFON-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O3/c1-13-5-3-4-6-16(13)24-18-15(9-21-24)19(26)23(12-20-18)11-17(25)22-7-8-27-14(2)10-22/h3-6,9,12,14H,7-8,10-11H2,1-2H3.
What are the key properties of 5-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]-1-(2-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one?
5-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]-1-(2-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 367.41 g/mol, XLogP of 1.14, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]-1-(2-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 126787944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).