5-[2-ethoxy-5-(2-morpholin-4-ylacetyl)phenyl]-1-ethyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one

C24H31N5O4 — CID 135721192

IUPAC5-[2-ethoxy-5-(2-morpholin-4-ylacetyl)phenyl]-1-ethyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
SMILESCCCc1nn(CC)c2c(=O)[nH]c(-c3cc(C(=O)CN4CCOCC4)ccc3OCC)nc12
InChIInChI=1S/C24H31N5O4/c1-4-7-18-21-22(29(5-2)27-18)24(31)26-23(25-21)17-14-16(8-9-20(17)33-6-3)19(30)15-28-10-12-32-13-11-28/h8-9,14H,4-7,10-13,15H2,1-3H3,(H,25,26,31)
InChIKeyDYHVWOAZIYHPLL-UHFFFAOYSA-N
MW453.54 g/mol
LogP2.67
Rot. Bonds9

About 5-[2-ethoxy-5-(2-morpholin-4-ylacetyl)phenyl]-1-ethyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one

5-[2-ethoxy-5-(2-morpholin-4-ylacetyl)phenyl]-1-ethyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one (PubChem CID 135721192) has the molecular formula C24H31N5O4 and a molecular weight of 453.54 g/mol. Its IUPAC name is 5-[2-ethoxy-5-(2-morpholin-4-ylacetyl)phenyl]-1-ethyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one.

Molecular Properties

Compound Name5-[2-ethoxy-5-(2-morpholin-4-ylacetyl)phenyl]-1-ethyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
PubChem CID135721192
Molecular FormulaC24H31N5O4
Molecular Weight453.54 g/mol
Exact Mass453.24
IUPAC Name5-[2-ethoxy-5-(2-morpholin-4-ylacetyl)phenyl]-1-ethyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
SMILESCCCc1nn(CC)c2c(=O)[nH]c(-c3cc(C(=O)CN4CCOCC4)ccc3OCC)nc12
InChIInChI=1S/C24H31N5O4/c1-4-7-18-21-22(29(5-2)27-18)24(31)26-23(25-21)17-14-16(8-9-20(17)33-6-3)19(30)15-28-10-12-32-13-11-28/h8-9,14H,4-7,10-13,15H2,1-3H3,(H,25,26,31)
InChIKeyDYHVWOAZIYHPLL-UHFFFAOYSA-N
XLogP2.67
TPSA102.34 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.54
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

5-[2-ethoxy-5-[2-[4-(1,1,2,2-tetradeuterio-2-hydroxyethyl)piperazin-1-yl]acetyl]phenyl]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
CID 169441512
5-[2-ethoxy-5-[2-(4-ethyl-4-oxidopiperazin-4-ium-1-yl)acetyl]phenyl]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
CID 155668789
6-[2-ethoxy-5-(2-morpholin-4-ylacetyl)phenyl]-1-propyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135738544
5-(5-acetyl-2-ethoxyphenyl)-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
CID 135559102
4-ethoxy-N-hydroxy-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-5-yl)benzamide
CID 136645424
4-[[5-(2-ethoxyphenyl)-7-oxo-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-1-yl]methyl]benzamide
CID 135740141
5-(5-aminosulfanyl-2-ethoxyphenyl)-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
CID 166475417
5-[5-(1,2-dihydroxyethyl)-2-ethoxyphenyl]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
CID 139032845
5-[5-(3,5-dimethylpiperazine-1-carbothioyl)-2-ethoxyphenyl]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
CID 154631340
[2-[[4-ethoxy-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-5-yl)phenyl]methyl]cyclopropanecarbonyl]azanium
CID 145129184
4-[4-[4-ethoxy-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-5-yl)anilino]piperidin-1-yl]benzamide
CID 137137003
4-ethoxy-N-hydroxy-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-5-yl)benzenesulfonamide
CID 136862437

Frequently Asked Questions

What is the IUPAC name of 5-[2-ethoxy-5-(2-morpholin-4-ylacetyl)phenyl]-1-ethyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one?
The IUPAC name of 5-[2-ethoxy-5-(2-morpholin-4-ylacetyl)phenyl]-1-ethyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one (CID 135721192) is 5-[2-ethoxy-5-(2-morpholin-4-ylacetyl)phenyl]-1-ethyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one.
What is the SMILES notation for 5-[2-ethoxy-5-(2-morpholin-4-ylacetyl)phenyl]-1-ethyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one?
The canonical SMILES for 5-[2-ethoxy-5-(2-morpholin-4-ylacetyl)phenyl]-1-ethyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one is CCCc1nn(CC)c2c(=O)[nH]c(-c3cc(C(=O)CN4CCOCC4)ccc3OCC)nc12.
What is the InChIKey of 5-[2-ethoxy-5-(2-morpholin-4-ylacetyl)phenyl]-1-ethyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one?
The InChIKey is DYHVWOAZIYHPLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O4/c1-4-7-18-21-22(29(5-2)27-18)24(31)26-23(25-21)17-14-16(8-9-20(17)33-6-3)19(30)15-28-10-12-32-13-11-28/h8-9,14H,4-7,10-13,15H2,1-3H3,(H,25,26,31).
What are the key properties of 5-[2-ethoxy-5-(2-morpholin-4-ylacetyl)phenyl]-1-ethyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one?
5-[2-ethoxy-5-(2-morpholin-4-ylacetyl)phenyl]-1-ethyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one has a molecular weight of 453.54 g/mol, XLogP of 2.67, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-ethoxy-5-(2-morpholin-4-ylacetyl)phenyl]-1-ethyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one is sourced from PubChem (CID 135721192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).