5-[5-acetyl-2-(2-methoxyethoxy)-3-pyridinyl]-3-ethyl-2-(2-morpholin-4-ylethyl)-6H-pyrazolo[4,3-d]pyrimidin-7-one

C23H30N6O5 — CID 135510018

IUPAC5-[5-acetyl-2-(2-methoxyethoxy)-3-pyridinyl]-3-ethyl-2-(2-morpholin-4-ylethyl)-6H-pyrazolo[4,3-d]pyrimidin-7-one
SMILESCCc1c2nc(-c3cc(C(C)=O)cnc3OCCOC)[nH]c(=O)c2nn1CCN1CCOCC1
InChIInChI=1S/C23H30N6O5/c1-4-18-19-20(27-29(18)6-5-28-7-9-33-10-8-28)22(31)26-21(25-19)17-13-16(15(2)30)14-24-23(17)34-12-11-32-3/h13-14H,4-12H2,1-3H3,(H,25,26,31)
InChIKeyZEDUDRXUCRVYAH-UHFFFAOYSA-N
MW470.53 g/mol
LogP1.30
Rot. Bonds10

About 5-[5-acetyl-2-(2-methoxyethoxy)-3-pyridinyl]-3-ethyl-2-(2-morpholin-4-ylethyl)-6H-pyrazolo[4,3-d]pyrimidin-7-one

5-[5-acetyl-2-(2-methoxyethoxy)-3-pyridinyl]-3-ethyl-2-(2-morpholin-4-ylethyl)-6H-pyrazolo[4,3-d]pyrimidin-7-one (PubChem CID 135510018) has the molecular formula C23H30N6O5 and a molecular weight of 470.53 g/mol. Its IUPAC name is 5-[5-acetyl-2-(2-methoxyethoxy)-3-pyridinyl]-3-ethyl-2-(2-morpholin-4-ylethyl)-6H-pyrazolo[4,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name5-[5-acetyl-2-(2-methoxyethoxy)-3-pyridinyl]-3-ethyl-2-(2-morpholin-4-ylethyl)-6H-pyrazolo[4,3-d]pyrimidin-7-one
PubChem CID135510018
Molecular FormulaC23H30N6O5
Molecular Weight470.53 g/mol
Exact Mass470.23
IUPAC Name5-[5-acetyl-2-(2-methoxyethoxy)-3-pyridinyl]-3-ethyl-2-(2-morpholin-4-ylethyl)-6H-pyrazolo[4,3-d]pyrimidin-7-one
SMILESCCc1c2nc(-c3cc(C(C)=O)cnc3OCCOC)[nH]c(=O)c2nn1CCN1CCOCC1
InChIInChI=1S/C23H30N6O5/c1-4-18-19-20(27-29(18)6-5-28-7-9-33-10-8-28)22(31)26-21(25-19)17-13-16(15(2)30)14-24-23(17)34-12-11-32-3/h13-14H,4-12H2,1-3H3,(H,25,26,31)
InChIKeyZEDUDRXUCRVYAH-UHFFFAOYSA-N
XLogP1.30
TPSA124.46 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.53
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Gisadenafil
CID 135536943
(R)-3-ethyl-5-(5-(4-ethylpiperazin-1-ylsulfonyl)-2-(1-methoxypropan-2-yloxy)pyridin-3-yl)-2-methyl-2H-pyrazolo[4,3-d]pyrimidin-7(6H)-one
CID 135430955
5-(2-butoxy-5-acetylpyridin-3-yl)-3-ethyl-2-[(1-methyl-1H-imidazol-2-yl)methyl]-2H,6H,7H-pyrazolo[4,3-d]pyrimidin-7-one
CID 135505670
Gisadenafil Besylate
CID 135564628
5-(5-acetyl-2-propoxy-3-pyridinyl)-3-ethyl-2-(1-ethyl-3-azetidinyl)-2,6-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one
CID 135427992
5-(5-acetyl-2-propoxypyridin-3-yl)-3-ethyl-2-(1-methylazetidin-3-yl)-2H,6H,7H-pyrazolo[4,3-d]pyrimidin-7-one
CID 135438524
2-(azetidin-3-yl)-5-(2-butoxy-5-acetylpyridin-3-yl)-3-ethyl-2H,6H,7H-pyrazolo[4,3-d]pyrimidin-7-one
CID 135438525
UK-357903
CID 135456180
5-(2-butoxy-5-acetylpyridin-3-yl)-3-ethyl-2-[2-(morpholin-4-yl)ethyl]-2H,6H,7H-pyrazolo[4,3-d]pyrimidin-7-one
CID 135487696
5-(5-acetyl-2-propoxy-3-pyridinyl)-2-(3-azetidinyl)-3-ethyl-2,6-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one
CID 135489339
5-(2-butoxy-5-acetylpyridin-3-yl)-3-ethyl-2-(1-ethylpiperidin-4-yl)-2H,6H,7H-pyrazolo[4,3-d]pyrimidin-7-one
CID 135491781
5-(5-acetyl-2-propoxy-3-pyridinyl)-2-(3-azetidinyl)-3-propyl-2,6-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one
CID 135491934

Frequently Asked Questions

What is the IUPAC name of 5-[5-acetyl-2-(2-methoxyethoxy)-3-pyridinyl]-3-ethyl-2-(2-morpholin-4-ylethyl)-6H-pyrazolo[4,3-d]pyrimidin-7-one?
The IUPAC name of 5-[5-acetyl-2-(2-methoxyethoxy)-3-pyridinyl]-3-ethyl-2-(2-morpholin-4-ylethyl)-6H-pyrazolo[4,3-d]pyrimidin-7-one (CID 135510018) is 5-[5-acetyl-2-(2-methoxyethoxy)-3-pyridinyl]-3-ethyl-2-(2-morpholin-4-ylethyl)-6H-pyrazolo[4,3-d]pyrimidin-7-one.
What is the SMILES notation for 5-[5-acetyl-2-(2-methoxyethoxy)-3-pyridinyl]-3-ethyl-2-(2-morpholin-4-ylethyl)-6H-pyrazolo[4,3-d]pyrimidin-7-one?
The canonical SMILES for 5-[5-acetyl-2-(2-methoxyethoxy)-3-pyridinyl]-3-ethyl-2-(2-morpholin-4-ylethyl)-6H-pyrazolo[4,3-d]pyrimidin-7-one is CCc1c2nc(-c3cc(C(C)=O)cnc3OCCOC)[nH]c(=O)c2nn1CCN1CCOCC1.
What is the InChIKey of 5-[5-acetyl-2-(2-methoxyethoxy)-3-pyridinyl]-3-ethyl-2-(2-morpholin-4-ylethyl)-6H-pyrazolo[4,3-d]pyrimidin-7-one?
The InChIKey is ZEDUDRXUCRVYAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N6O5/c1-4-18-19-20(27-29(18)6-5-28-7-9-33-10-8-28)22(31)26-21(25-19)17-13-16(15(2)30)14-24-23(17)34-12-11-32-3/h13-14H,4-12H2,1-3H3,(H,25,26,31).
What are the key properties of 5-[5-acetyl-2-(2-methoxyethoxy)-3-pyridinyl]-3-ethyl-2-(2-morpholin-4-ylethyl)-6H-pyrazolo[4,3-d]pyrimidin-7-one?
5-[5-acetyl-2-(2-methoxyethoxy)-3-pyridinyl]-3-ethyl-2-(2-morpholin-4-ylethyl)-6H-pyrazolo[4,3-d]pyrimidin-7-one has a molecular weight of 470.53 g/mol, XLogP of 1.30, 10 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-acetyl-2-(2-methoxyethoxy)-3-pyridinyl]-3-ethyl-2-(2-morpholin-4-ylethyl)-6H-pyrazolo[4,3-d]pyrimidin-7-one is sourced from PubChem (CID 135510018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).