5-(5-acetyl-2-propoxy-3-pyridinyl)-3-ethyl-2-[(1-methylimidazol-2-yl)methyl]-6H-pyrazolo[4,3-d]pyrimidin-7-one

C22H25N7O3 — CID 135530119

IUPAC5-(5-acetyl-2-propoxy-3-pyridinyl)-3-ethyl-2-[(1-methylimidazol-2-yl)methyl]-6H-pyrazolo[4,3-d]pyrimidin-7-one
SMILESCCCOc1ncc(C(C)=O)cc1-c1nc2c(CC)n(Cc3nccn3C)nc2c(=O)[nH]1
InChIInChI=1S/C22H25N7O3/c1-5-9-32-22-15(10-14(11-24-22)13(3)30)20-25-18-16(6-2)29(27-19(18)21(31)26-20)12-17-23-7-8-28(17)4/h7-8,10-11H,5-6,9,12H2,1-4H3,(H,25,26,31)
InChIKeySKPWBUIUFSHXIX-UHFFFAOYSA-N
MW435.49 g/mol
LogP2.52
Rot. Bonds8

About 5-(5-acetyl-2-propoxy-3-pyridinyl)-3-ethyl-2-[(1-methylimidazol-2-yl)methyl]-6H-pyrazolo[4,3-d]pyrimidin-7-one

5-(5-acetyl-2-propoxy-3-pyridinyl)-3-ethyl-2-[(1-methylimidazol-2-yl)methyl]-6H-pyrazolo[4,3-d]pyrimidin-7-one (PubChem CID 135530119) has the molecular formula C22H25N7O3 and a molecular weight of 435.49 g/mol. Its IUPAC name is 5-(5-acetyl-2-propoxy-3-pyridinyl)-3-ethyl-2-[(1-methylimidazol-2-yl)methyl]-6H-pyrazolo[4,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name5-(5-acetyl-2-propoxy-3-pyridinyl)-3-ethyl-2-[(1-methylimidazol-2-yl)methyl]-6H-pyrazolo[4,3-d]pyrimidin-7-one
PubChem CID135530119
Molecular FormulaC22H25N7O3
Molecular Weight435.49 g/mol
Exact Mass435.20
IUPAC Name5-(5-acetyl-2-propoxy-3-pyridinyl)-3-ethyl-2-[(1-methylimidazol-2-yl)methyl]-6H-pyrazolo[4,3-d]pyrimidin-7-one
SMILESCCCOc1ncc(C(C)=O)cc1-c1nc2c(CC)n(Cc3nccn3C)nc2c(=O)[nH]1
InChIInChI=1S/C22H25N7O3/c1-5-9-32-22-15(10-14(11-24-22)13(3)30)20-25-18-16(6-2)29(27-19(18)21(31)26-20)12-17-23-7-8-28(17)4/h7-8,10-11H,5-6,9,12H2,1-4H3,(H,25,26,31)
InChIKeySKPWBUIUFSHXIX-UHFFFAOYSA-N
XLogP2.52
TPSA120.58 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.49
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-(5-acetyl-2-propoxy-3-pyridinyl)-3-ethyl-2-[(1-methylimidazol-2-yl)methyl]-6H-pyrazolo[4,3-d]pyrimidin-7-one?
The IUPAC name of 5-(5-acetyl-2-propoxy-3-pyridinyl)-3-ethyl-2-[(1-methylimidazol-2-yl)methyl]-6H-pyrazolo[4,3-d]pyrimidin-7-one (CID 135530119) is 5-(5-acetyl-2-propoxy-3-pyridinyl)-3-ethyl-2-[(1-methylimidazol-2-yl)methyl]-6H-pyrazolo[4,3-d]pyrimidin-7-one.
What is the SMILES notation for 5-(5-acetyl-2-propoxy-3-pyridinyl)-3-ethyl-2-[(1-methylimidazol-2-yl)methyl]-6H-pyrazolo[4,3-d]pyrimidin-7-one?
The canonical SMILES for 5-(5-acetyl-2-propoxy-3-pyridinyl)-3-ethyl-2-[(1-methylimidazol-2-yl)methyl]-6H-pyrazolo[4,3-d]pyrimidin-7-one is CCCOc1ncc(C(C)=O)cc1-c1nc2c(CC)n(Cc3nccn3C)nc2c(=O)[nH]1.
What is the InChIKey of 5-(5-acetyl-2-propoxy-3-pyridinyl)-3-ethyl-2-[(1-methylimidazol-2-yl)methyl]-6H-pyrazolo[4,3-d]pyrimidin-7-one?
The InChIKey is SKPWBUIUFSHXIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N7O3/c1-5-9-32-22-15(10-14(11-24-22)13(3)30)20-25-18-16(6-2)29(27-19(18)21(31)26-20)12-17-23-7-8-28(17)4/h7-8,10-11H,5-6,9,12H2,1-4H3,(H,25,26,31).
What are the key properties of 5-(5-acetyl-2-propoxy-3-pyridinyl)-3-ethyl-2-[(1-methylimidazol-2-yl)methyl]-6H-pyrazolo[4,3-d]pyrimidin-7-one?
5-(5-acetyl-2-propoxy-3-pyridinyl)-3-ethyl-2-[(1-methylimidazol-2-yl)methyl]-6H-pyrazolo[4,3-d]pyrimidin-7-one has a molecular weight of 435.49 g/mol, XLogP of 2.52, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-acetyl-2-propoxy-3-pyridinyl)-3-ethyl-2-[(1-methylimidazol-2-yl)methyl]-6H-pyrazolo[4,3-d]pyrimidin-7-one is sourced from PubChem (CID 135530119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).