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

C22H27N5O4 — CID 135738544

IUPAC6-[2-ethoxy-5-(2-morpholin-4-ylacetyl)phenyl]-1-propyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCCCn1ncc2c(=O)[nH]c(-c3cc(C(=O)CN4CCOCC4)ccc3OCC)nc21
InChIInChI=1S/C22H27N5O4/c1-3-7-27-21-17(13-23-27)22(29)25-20(24-21)16-12-15(5-6-19(16)31-4-2)18(28)14-26-8-10-30-11-9-26/h5-6,12-13H,3-4,7-11,14H2,1-2H3,(H,24,25,29)
InChIKeyZWJDZZJHURQSRO-UHFFFAOYSA-N
MW425.49 g/mol
LogP2.11
Rot. Bonds8

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

6-[2-ethoxy-5-(2-morpholin-4-ylacetyl)phenyl]-1-propyl-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 135738544) has the molecular formula C22H27N5O4 and a molecular weight of 425.49 g/mol. Its IUPAC name is 6-[2-ethoxy-5-(2-morpholin-4-ylacetyl)phenyl]-1-propyl-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-[2-ethoxy-5-(2-morpholin-4-ylacetyl)phenyl]-1-propyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID135738544
Molecular FormulaC22H27N5O4
Molecular Weight425.49 g/mol
Exact Mass425.21
IUPAC Name6-[2-ethoxy-5-(2-morpholin-4-ylacetyl)phenyl]-1-propyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCCCn1ncc2c(=O)[nH]c(-c3cc(C(=O)CN4CCOCC4)ccc3OCC)nc21
InChIInChI=1S/C22H27N5O4/c1-3-7-27-21-17(13-23-27)22(29)25-20(24-21)16-12-15(5-6-19(16)31-4-2)18(28)14-26-8-10-30-11-9-26/h5-6,12-13H,3-4,7-11,14H2,1-2H3,(H,24,25,29)
InChIKeyZWJDZZJHURQSRO-UHFFFAOYSA-N
XLogP2.11
TPSA102.34 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

5-[2-ethoxy-5-(2-morpholin-4-ylacetyl)phenyl]-1-ethyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
CID 135721192
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
N-(4-bromophenyl)-4-ethoxy-N-methyl-3-(4-oxo-1-propyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)benzenesulfonamide
CID 135908323
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
5-(5-acetyl-2-ethoxyphenyl)-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
CID 135559102
4-[2-[4-ethoxy-3-(5-methyl-4-oxo-7-propyl-3H-pyrrolo[2,3-d]pyrimidin-2-yl)-N-sulfinatoanilino]ethyl]morpholine
CID 136623366
1-(5-chloro-2-ethoxyphenyl)-2-morpholin-4-ylethanone
CID 82051126
6-methyl-5-[5-(2-morpholin-4-ylacetyl)-2-propan-2-yloxyphenyl]-3-propyl-2H-pyrazolo[4,3-d]pyrimidin-7-one
CID 70010313
1-(3,4-diethoxyphenyl)-2-piperidin-1-ylethanone
CID 82050354
4-ethoxy-N-hydroxy-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-5-yl)benzamide
CID 136645424
1-(3-chloro-4-methoxyphenyl)-2-morpholin-4-ylethanone
CID 43227712
5-(2-butoxy-5-methylsulfonylphenyl)-2-(2-morpholin-4-ylethyl)-3-propyl-6H-pyrazolo[4,3-d]pyrimidin-7-one
CID 142170296

Frequently Asked Questions

What is the IUPAC name of 6-[2-ethoxy-5-(2-morpholin-4-ylacetyl)phenyl]-1-propyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 6-[2-ethoxy-5-(2-morpholin-4-ylacetyl)phenyl]-1-propyl-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 135738544) is 6-[2-ethoxy-5-(2-morpholin-4-ylacetyl)phenyl]-1-propyl-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 6-[2-ethoxy-5-(2-morpholin-4-ylacetyl)phenyl]-1-propyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 6-[2-ethoxy-5-(2-morpholin-4-ylacetyl)phenyl]-1-propyl-5H-pyrazolo[5,4-d]pyrimidin-4-one is CCCn1ncc2c(=O)[nH]c(-c3cc(C(=O)CN4CCOCC4)ccc3OCC)nc21.
What is the InChIKey of 6-[2-ethoxy-5-(2-morpholin-4-ylacetyl)phenyl]-1-propyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is ZWJDZZJHURQSRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O4/c1-3-7-27-21-17(13-23-27)22(29)25-20(24-21)16-12-15(5-6-19(16)31-4-2)18(28)14-26-8-10-30-11-9-26/h5-6,12-13H,3-4,7-11,14H2,1-2H3,(H,24,25,29).
What are the key properties of 6-[2-ethoxy-5-(2-morpholin-4-ylacetyl)phenyl]-1-propyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
6-[2-ethoxy-5-(2-morpholin-4-ylacetyl)phenyl]-1-propyl-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 425.49 g/mol, XLogP of 2.11, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-ethoxy-5-(2-morpholin-4-ylacetyl)phenyl]-1-propyl-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 135738544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).