6-[2-(3-methoxyphenoxy)ethylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one

C20H19N5O3 — CID 137258240

IUPAC6-[2-(3-methoxyphenoxy)ethylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCOc1cccc(OCCNc2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)c1
InChIInChI=1S/C20H19N5O3/c1-27-15-8-5-9-16(12-15)28-11-10-21-20-23-18-17(19(26)24-20)13-22-25(18)14-6-3-2-4-7-14/h2-9,12-13H,10-11H2,1H3,(H2,21,23,24,26)
InChIKeyRKYATBQJWKMBOG-UHFFFAOYSA-N
MW377.40 g/mol
LogP2.61
Rot. Bonds7

About 6-[2-(3-methoxyphenoxy)ethylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one

6-[2-(3-methoxyphenoxy)ethylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 137258240) has the molecular formula C20H19N5O3 and a molecular weight of 377.40 g/mol. Its IUPAC name is 6-[2-(3-methoxyphenoxy)ethylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-[2-(3-methoxyphenoxy)ethylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID137258240
Molecular FormulaC20H19N5O3
Molecular Weight377.40 g/mol
Exact Mass377.15
IUPAC Name6-[2-(3-methoxyphenoxy)ethylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCOc1cccc(OCCNc2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)c1
InChIInChI=1S/C20H19N5O3/c1-27-15-8-5-9-16(12-15)28-11-10-21-20-23-18-17(19(26)24-20)13-22-25(18)14-6-3-2-4-7-14/h2-9,12-13H,10-11H2,1H3,(H2,21,23,24,26)
InChIKeyRKYATBQJWKMBOG-UHFFFAOYSA-N
XLogP2.61
TPSA94.06 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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 6-[2-(3-methoxyphenoxy)ethylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 6-[2-(3-methoxyphenoxy)ethylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 137258240) is 6-[2-(3-methoxyphenoxy)ethylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 6-[2-(3-methoxyphenoxy)ethylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 6-[2-(3-methoxyphenoxy)ethylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one is COc1cccc(OCCNc2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)c1.
What is the InChIKey of 6-[2-(3-methoxyphenoxy)ethylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is RKYATBQJWKMBOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O3/c1-27-15-8-5-9-16(12-15)28-11-10-21-20-23-18-17(19(26)24-20)13-22-25(18)14-6-3-2-4-7-14/h2-9,12-13H,10-11H2,1H3,(H2,21,23,24,26).
What are the key properties of 6-[2-(3-methoxyphenoxy)ethylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
6-[2-(3-methoxyphenoxy)ethylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 377.40 g/mol, XLogP of 2.61, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(3-methoxyphenoxy)ethylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 137258240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).