5-[4-[2-(4-ethoxyphenoxy)acetyl]piperazin-1-yl]-1,3-dimethyl-6-propylpyrazolo[4,5-d]pyrimidin-7-one

C24H32N6O4 — CID 35758380

IUPAC5-[4-[2-(4-ethoxyphenoxy)acetyl]piperazin-1-yl]-1,3-dimethyl-6-propylpyrazolo[4,5-d]pyrimidin-7-one
SMILESCCCn1c(N2CCN(C(=O)COc3ccc(OCC)cc3)CC2)nc2c(C)nn(C)c2c1=O
InChIInChI=1S/C24H32N6O4/c1-5-11-30-23(32)22-21(17(3)26-27(22)4)25-24(30)29-14-12-28(13-15-29)20(31)16-34-19-9-7-18(8-10-19)33-6-2/h7-10H,5-6,11-16H2,1-4H3
InChIKeyZSYDQFRKKYVKCD-UHFFFAOYSA-N
MW468.56 g/mol
LogP1.97
Rot. Bonds8

About 5-[4-[2-(4-ethoxyphenoxy)acetyl]piperazin-1-yl]-1,3-dimethyl-6-propylpyrazolo[4,5-d]pyrimidin-7-one

5-[4-[2-(4-ethoxyphenoxy)acetyl]piperazin-1-yl]-1,3-dimethyl-6-propylpyrazolo[4,5-d]pyrimidin-7-one (PubChem CID 35758380) has the molecular formula C24H32N6O4 and a molecular weight of 468.56 g/mol. Its IUPAC name is 5-[4-[2-(4-ethoxyphenoxy)acetyl]piperazin-1-yl]-1,3-dimethyl-6-propylpyrazolo[4,5-d]pyrimidin-7-one.

Molecular Properties

Compound Name5-[4-[2-(4-ethoxyphenoxy)acetyl]piperazin-1-yl]-1,3-dimethyl-6-propylpyrazolo[4,5-d]pyrimidin-7-one
PubChem CID35758380
Molecular FormulaC24H32N6O4
Molecular Weight468.56 g/mol
Exact Mass468.25
IUPAC Name5-[4-[2-(4-ethoxyphenoxy)acetyl]piperazin-1-yl]-1,3-dimethyl-6-propylpyrazolo[4,5-d]pyrimidin-7-one
SMILESCCCn1c(N2CCN(C(=O)COc3ccc(OCC)cc3)CC2)nc2c(C)nn(C)c2c1=O
InChIInChI=1S/C24H32N6O4/c1-5-11-30-23(32)22-21(17(3)26-27(22)4)25-24(30)29-14-12-28(13-15-29)20(31)16-34-19-9-7-18(8-10-19)33-6-2/h7-10H,5-6,11-16H2,1-4H3
InChIKeyZSYDQFRKKYVKCD-UHFFFAOYSA-N
XLogP1.97
TPSA94.72 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.56
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

5-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-1,3-dimethyl-6-propylpyrazolo[4,5-d]pyrimidin-7-one
CID 35757289
1-[4-[2-(4-ethoxyphenoxy)acetyl]piperazin-1-yl]-2-(4-methylphenoxy)ethanone
CID 108536873
2-[4-(2-phenoxyacetyl)piperazin-1-yl]-3-propyl-7,8-dihydro-[1,4]dioxino[2,3-g]quinazolin-4-one
CID 35756725
5-[4-(2-chloro-6-fluorobenzoyl)piperazin-1-yl]-6-ethyl-1,3-dimethylpyrazolo[4,5-d]pyrimidin-7-one
CID 35757152
3-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-1-propylquinoxalin-2-one
CID 53001361
1-[4-(5-ethyl-1,3-dimethylpyrazolo[4,5-d]pyrimidin-7-yl)piperazin-1-yl]-2-(2-methoxyphenoxy)ethanone
CID 35758499
2-ethoxy-1-[4-(5-ethyl-1,3-dimethylpyrazolo[4,5-d]pyrimidin-7-yl)piperazin-1-yl]ethanone
CID 35758507
2-(4-methoxyphenoxy)-1-[4-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone
CID 25284816
1-[4-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(4-ethoxyphenoxy)ethanone
CID 43982860
2-(4-ethoxyphenoxy)-1-[4-[6-(4-ethoxyphenyl)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 121106901
1-[4-[2-(4-ethoxyphenoxy)acetyl]piperazin-1-yl]-2,2,2-trifluoroethanone
CID 108533445
2-(4-ethoxyphenoxy)-1-(4-methylsulfonylpiperazin-1-yl)ethanone
CID 31688394

Frequently Asked Questions

What is the IUPAC name of 5-[4-[2-(4-ethoxyphenoxy)acetyl]piperazin-1-yl]-1,3-dimethyl-6-propylpyrazolo[4,5-d]pyrimidin-7-one?
The IUPAC name of 5-[4-[2-(4-ethoxyphenoxy)acetyl]piperazin-1-yl]-1,3-dimethyl-6-propylpyrazolo[4,5-d]pyrimidin-7-one (CID 35758380) is 5-[4-[2-(4-ethoxyphenoxy)acetyl]piperazin-1-yl]-1,3-dimethyl-6-propylpyrazolo[4,5-d]pyrimidin-7-one.
What is the SMILES notation for 5-[4-[2-(4-ethoxyphenoxy)acetyl]piperazin-1-yl]-1,3-dimethyl-6-propylpyrazolo[4,5-d]pyrimidin-7-one?
The canonical SMILES for 5-[4-[2-(4-ethoxyphenoxy)acetyl]piperazin-1-yl]-1,3-dimethyl-6-propylpyrazolo[4,5-d]pyrimidin-7-one is CCCn1c(N2CCN(C(=O)COc3ccc(OCC)cc3)CC2)nc2c(C)nn(C)c2c1=O.
What is the InChIKey of 5-[4-[2-(4-ethoxyphenoxy)acetyl]piperazin-1-yl]-1,3-dimethyl-6-propylpyrazolo[4,5-d]pyrimidin-7-one?
The InChIKey is ZSYDQFRKKYVKCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N6O4/c1-5-11-30-23(32)22-21(17(3)26-27(22)4)25-24(30)29-14-12-28(13-15-29)20(31)16-34-19-9-7-18(8-10-19)33-6-2/h7-10H,5-6,11-16H2,1-4H3.
What are the key properties of 5-[4-[2-(4-ethoxyphenoxy)acetyl]piperazin-1-yl]-1,3-dimethyl-6-propylpyrazolo[4,5-d]pyrimidin-7-one?
5-[4-[2-(4-ethoxyphenoxy)acetyl]piperazin-1-yl]-1,3-dimethyl-6-propylpyrazolo[4,5-d]pyrimidin-7-one has a molecular weight of 468.56 g/mol, XLogP of 1.97, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[2-(4-ethoxyphenoxy)acetyl]piperazin-1-yl]-1,3-dimethyl-6-propylpyrazolo[4,5-d]pyrimidin-7-one is sourced from PubChem (CID 35758380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).