4-[[5-(2-ethoxyphenyl)-7-oxo-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-1-yl]methyl]benzamide

C24H25N5O3 — CID 135740141

IUPAC4-[[5-(2-ethoxyphenyl)-7-oxo-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-1-yl]methyl]benzamide
SMILESCCCc1nn(Cc2ccc(C(N)=O)cc2)c2c(=O)[nH]c(-c3ccccc3OCC)nc12
InChIInChI=1S/C24H25N5O3/c1-3-7-18-20-21(29(28-18)14-15-10-12-16(13-11-15)22(25)30)24(31)27-23(26-20)17-8-5-6-9-19(17)32-4-2/h5-6,8-13H,3-4,7,14H2,1-2H3,(H2,25,30)(H,26,27,31)
InChIKeyFCBIUENQOIQAKO-UHFFFAOYSA-N
MW431.50 g/mol
LogP3.29
Rot. Bonds8

About 4-[[5-(2-ethoxyphenyl)-7-oxo-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-1-yl]methyl]benzamide

4-[[5-(2-ethoxyphenyl)-7-oxo-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-1-yl]methyl]benzamide (PubChem CID 135740141) has the molecular formula C24H25N5O3 and a molecular weight of 431.50 g/mol. Its IUPAC name is 4-[[5-(2-ethoxyphenyl)-7-oxo-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-1-yl]methyl]benzamide.

Molecular Properties

Compound Name4-[[5-(2-ethoxyphenyl)-7-oxo-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-1-yl]methyl]benzamide
PubChem CID135740141
Molecular FormulaC24H25N5O3
Molecular Weight431.50 g/mol
Exact Mass431.20
IUPAC Name4-[[5-(2-ethoxyphenyl)-7-oxo-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-1-yl]methyl]benzamide
SMILESCCCc1nn(Cc2ccc(C(N)=O)cc2)c2c(=O)[nH]c(-c3ccccc3OCC)nc12
InChIInChI=1S/C24H25N5O3/c1-3-7-18-20-21(29(28-18)14-15-10-12-16(13-11-15)22(25)30)24(31)27-23(26-20)17-8-5-6-9-19(17)32-4-2/h5-6,8-13H,3-4,7,14H2,1-2H3,(H2,25,30)(H,26,27,31)
InChIKeyFCBIUENQOIQAKO-UHFFFAOYSA-N
XLogP3.29
TPSA115.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.50
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[4-ethoxy-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-5-yl)phenyl]methyl]-3-methoxybenzamide
CID 137143394
5-(5-acetyl-2-ethoxyphenyl)-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
CID 135559102
5-[2-ethoxy-5-(2-morpholin-4-ylacetyl)phenyl]-1-ethyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
CID 135721192
4-ethoxy-N-hydroxy-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-5-yl)benzamide
CID 136645424
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
5-(5-aminosulfanyl-2-ethoxyphenyl)-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
CID 166475417
[2-[[4-ethoxy-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-5-yl)phenyl]methyl]cyclopropanecarbonyl]azanium
CID 145129184
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
4-ethoxy-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-5-yl)-N-phenylbenzenesulfonamide
CID 135444494
1-[4-ethoxy-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-5-yl)phenyl]-2-ethylguanidine
CID 135885069
5-[2-ethoxy-5-[4-(2-hydroxyethyl)piperazin-1-yl]sulfonylphenyl]-1-ethyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
CID 135738539

Frequently Asked Questions

What is the IUPAC name of 4-[[5-(2-ethoxyphenyl)-7-oxo-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-1-yl]methyl]benzamide?
The IUPAC name of 4-[[5-(2-ethoxyphenyl)-7-oxo-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-1-yl]methyl]benzamide (CID 135740141) is 4-[[5-(2-ethoxyphenyl)-7-oxo-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-1-yl]methyl]benzamide.
What is the SMILES notation for 4-[[5-(2-ethoxyphenyl)-7-oxo-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-1-yl]methyl]benzamide?
The canonical SMILES for 4-[[5-(2-ethoxyphenyl)-7-oxo-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-1-yl]methyl]benzamide is CCCc1nn(Cc2ccc(C(N)=O)cc2)c2c(=O)[nH]c(-c3ccccc3OCC)nc12.
What is the InChIKey of 4-[[5-(2-ethoxyphenyl)-7-oxo-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-1-yl]methyl]benzamide?
The InChIKey is FCBIUENQOIQAKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O3/c1-3-7-18-20-21(29(28-18)14-15-10-12-16(13-11-15)22(25)30)24(31)27-23(26-20)17-8-5-6-9-19(17)32-4-2/h5-6,8-13H,3-4,7,14H2,1-2H3,(H2,25,30)(H,26,27,31).
What are the key properties of 4-[[5-(2-ethoxyphenyl)-7-oxo-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-1-yl]methyl]benzamide?
4-[[5-(2-ethoxyphenyl)-7-oxo-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-1-yl]methyl]benzamide has a molecular weight of 431.50 g/mol, XLogP of 3.29, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(2-ethoxyphenyl)-7-oxo-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-1-yl]methyl]benzamide is sourced from PubChem (CID 135740141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).