2,5-bis(4-methoxyphenyl)pyrazolo[4,3-d]pyrimidin-7-amine

C19H17N5O2 — CID 127037441

IUPAC2,5-bis(4-methoxyphenyl)pyrazolo[4,3-d]pyrimidin-7-amine
SMILESCOc1ccc(-c2nc(N)c3nn(-c4ccc(OC)cc4)cc3n2)cc1
InChIInChI=1S/C19H17N5O2/c1-25-14-7-3-12(4-8-14)19-21-16-11-24(23-17(16)18(20)22-19)13-5-9-15(26-2)10-6-13/h3-11H,1-2H3,(H2,20,21,22)
InChIKeyFYWLZJVPQYXXLQ-UHFFFAOYSA-N
MW347.38 g/mol
LogP3.08
Rot. Bonds4

About 2,5-bis(4-methoxyphenyl)pyrazolo[4,3-d]pyrimidin-7-amine

2,5-bis(4-methoxyphenyl)pyrazolo[4,3-d]pyrimidin-7-amine (PubChem CID 127037441) has the molecular formula C19H17N5O2 and a molecular weight of 347.38 g/mol. Its IUPAC name is 2,5-bis(4-methoxyphenyl)pyrazolo[4,3-d]pyrimidin-7-amine.

Molecular Properties

Compound Name2,5-bis(4-methoxyphenyl)pyrazolo[4,3-d]pyrimidin-7-amine
PubChem CID127037441
Molecular FormulaC19H17N5O2
Molecular Weight347.38 g/mol
Exact Mass347.14
IUPAC Name2,5-bis(4-methoxyphenyl)pyrazolo[4,3-d]pyrimidin-7-amine
SMILESCOc1ccc(-c2nc(N)c3nn(-c4ccc(OC)cc4)cc3n2)cc1
InChIInChI=1S/C19H17N5O2/c1-25-14-7-3-12(4-8-14)19-21-16-11-24(23-17(16)18(20)22-19)13-5-9-15(26-2)10-6-13/h3-11H,1-2H3,(H2,20,21,22)
InChIKeyFYWLZJVPQYXXLQ-UHFFFAOYSA-N
XLogP3.08
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2,5-bis(4-methoxyphenyl)pyrazolo[4,3-d]pyrimidin-7-amine?
The IUPAC name of 2,5-bis(4-methoxyphenyl)pyrazolo[4,3-d]pyrimidin-7-amine (CID 127037441) is 2,5-bis(4-methoxyphenyl)pyrazolo[4,3-d]pyrimidin-7-amine.
What is the SMILES notation for 2,5-bis(4-methoxyphenyl)pyrazolo[4,3-d]pyrimidin-7-amine?
The canonical SMILES for 2,5-bis(4-methoxyphenyl)pyrazolo[4,3-d]pyrimidin-7-amine is COc1ccc(-c2nc(N)c3nn(-c4ccc(OC)cc4)cc3n2)cc1.
What is the InChIKey of 2,5-bis(4-methoxyphenyl)pyrazolo[4,3-d]pyrimidin-7-amine?
The InChIKey is FYWLZJVPQYXXLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O2/c1-25-14-7-3-12(4-8-14)19-21-16-11-24(23-17(16)18(20)22-19)13-5-9-15(26-2)10-6-13/h3-11H,1-2H3,(H2,20,21,22).
What are the key properties of 2,5-bis(4-methoxyphenyl)pyrazolo[4,3-d]pyrimidin-7-amine?
2,5-bis(4-methoxyphenyl)pyrazolo[4,3-d]pyrimidin-7-amine has a molecular weight of 347.38 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(4-methoxyphenyl)pyrazolo[4,3-d]pyrimidin-7-amine is sourced from PubChem (CID 127037441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).