5-(5-amino-2-ethoxy-3-pyridinyl)-3-[4-(2-methoxyethoxy)phenyl]-2-methyl-6H-pyrazolo[4,3-d]pyrimidin-7-one

C22H24N6O4 — CID 135767299

IUPAC5-(5-amino-2-ethoxy-3-pyridinyl)-3-[4-(2-methoxyethoxy)phenyl]-2-methyl-6H-pyrazolo[4,3-d]pyrimidin-7-one
SMILESCCOc1ncc(N)cc1-c1nc2c(-c3ccc(OCCOC)cc3)n(C)nc2c(=O)[nH]1
InChIInChI=1S/C22H24N6O4/c1-4-31-22-16(11-14(23)12-24-22)20-25-17-18(21(29)26-20)27-28(2)19(17)13-5-7-15(8-6-13)32-10-9-30-3/h5-8,11-12H,4,9-10,23H2,1-3H3,(H,25,26,29)
InChIKeyGWVIWKQWAJZEEB-UHFFFAOYSA-N
MW436.47 g/mol
LogP2.39
Rot. Bonds8

About 5-(5-amino-2-ethoxy-3-pyridinyl)-3-[4-(2-methoxyethoxy)phenyl]-2-methyl-6H-pyrazolo[4,3-d]pyrimidin-7-one

5-(5-amino-2-ethoxy-3-pyridinyl)-3-[4-(2-methoxyethoxy)phenyl]-2-methyl-6H-pyrazolo[4,3-d]pyrimidin-7-one (PubChem CID 135767299) has the molecular formula C22H24N6O4 and a molecular weight of 436.47 g/mol. Its IUPAC name is 5-(5-amino-2-ethoxy-3-pyridinyl)-3-[4-(2-methoxyethoxy)phenyl]-2-methyl-6H-pyrazolo[4,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name5-(5-amino-2-ethoxy-3-pyridinyl)-3-[4-(2-methoxyethoxy)phenyl]-2-methyl-6H-pyrazolo[4,3-d]pyrimidin-7-one
PubChem CID135767299
Molecular FormulaC22H24N6O4
Molecular Weight436.47 g/mol
Exact Mass436.19
IUPAC Name5-(5-amino-2-ethoxy-3-pyridinyl)-3-[4-(2-methoxyethoxy)phenyl]-2-methyl-6H-pyrazolo[4,3-d]pyrimidin-7-one
SMILESCCOc1ncc(N)cc1-c1nc2c(-c3ccc(OCCOC)cc3)n(C)nc2c(=O)[nH]1
InChIInChI=1S/C22H24N6O4/c1-4-31-22-16(11-14(23)12-24-22)20-25-17-18(21(29)26-20)27-28(2)19(17)13-5-7-15(8-6-13)32-10-9-30-3/h5-8,11-12H,4,9-10,23H2,1-3H3,(H,25,26,29)
InChIKeyGWVIWKQWAJZEEB-UHFFFAOYSA-N
XLogP2.39
TPSA130.17 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.47
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(5-amino-2-ethoxy-3-pyridinyl)-3-[4-(2-methoxyethoxy)phenyl]-2-methyl-6H-pyrazolo[4,3-d]pyrimidin-7-one?
The IUPAC name of 5-(5-amino-2-ethoxy-3-pyridinyl)-3-[4-(2-methoxyethoxy)phenyl]-2-methyl-6H-pyrazolo[4,3-d]pyrimidin-7-one (CID 135767299) is 5-(5-amino-2-ethoxy-3-pyridinyl)-3-[4-(2-methoxyethoxy)phenyl]-2-methyl-6H-pyrazolo[4,3-d]pyrimidin-7-one.
What is the SMILES notation for 5-(5-amino-2-ethoxy-3-pyridinyl)-3-[4-(2-methoxyethoxy)phenyl]-2-methyl-6H-pyrazolo[4,3-d]pyrimidin-7-one?
The canonical SMILES for 5-(5-amino-2-ethoxy-3-pyridinyl)-3-[4-(2-methoxyethoxy)phenyl]-2-methyl-6H-pyrazolo[4,3-d]pyrimidin-7-one is CCOc1ncc(N)cc1-c1nc2c(-c3ccc(OCCOC)cc3)n(C)nc2c(=O)[nH]1.
What is the InChIKey of 5-(5-amino-2-ethoxy-3-pyridinyl)-3-[4-(2-methoxyethoxy)phenyl]-2-methyl-6H-pyrazolo[4,3-d]pyrimidin-7-one?
The InChIKey is GWVIWKQWAJZEEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O4/c1-4-31-22-16(11-14(23)12-24-22)20-25-17-18(21(29)26-20)27-28(2)19(17)13-5-7-15(8-6-13)32-10-9-30-3/h5-8,11-12H,4,9-10,23H2,1-3H3,(H,25,26,29).
What are the key properties of 5-(5-amino-2-ethoxy-3-pyridinyl)-3-[4-(2-methoxyethoxy)phenyl]-2-methyl-6H-pyrazolo[4,3-d]pyrimidin-7-one?
5-(5-amino-2-ethoxy-3-pyridinyl)-3-[4-(2-methoxyethoxy)phenyl]-2-methyl-6H-pyrazolo[4,3-d]pyrimidin-7-one has a molecular weight of 436.47 g/mol, XLogP of 2.39, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-amino-2-ethoxy-3-pyridinyl)-3-[4-(2-methoxyethoxy)phenyl]-2-methyl-6H-pyrazolo[4,3-d]pyrimidin-7-one is sourced from PubChem (CID 135767299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).