7-(6-methoxynaphthalen-2-yl)-3-[(4-methylphenyl)diazenyl]pyrazolo[1,5-a]pyrimidin-2-amine

C24H20N6O — CID 155810949

IUPAC7-(6-methoxynaphthalen-2-yl)-3-[(4-methylphenyl)diazenyl]pyrazolo[1,5-a]pyrimidin-2-amine
SMILESCOc1ccc2cc(-c3ccnc4c(/N=N/c5ccc(C)cc5)c(N)nn34)ccc2c1
InChIInChI=1S/C24H20N6O/c1-15-3-8-19(9-4-15)27-28-22-23(25)29-30-21(11-12-26-24(22)30)18-6-5-17-14-20(31-2)10-7-16(17)13-18/h3-14H,1-2H3,(H2,25,29)/b28-27+
InChIKeyNRPZHPXWSROVOH-BYYHNAKLSA-N
MW408.47 g/mol
LogP5.86
Rot. Bonds4

About 7-(6-methoxynaphthalen-2-yl)-3-[(4-methylphenyl)diazenyl]pyrazolo[1,5-a]pyrimidin-2-amine

7-(6-methoxynaphthalen-2-yl)-3-[(4-methylphenyl)diazenyl]pyrazolo[1,5-a]pyrimidin-2-amine (PubChem CID 155810949) has the molecular formula C24H20N6O and a molecular weight of 408.47 g/mol. Its IUPAC name is 7-(6-methoxynaphthalen-2-yl)-3-[(4-methylphenyl)diazenyl]pyrazolo[1,5-a]pyrimidin-2-amine.

Molecular Properties

Compound Name7-(6-methoxynaphthalen-2-yl)-3-[(4-methylphenyl)diazenyl]pyrazolo[1,5-a]pyrimidin-2-amine
PubChem CID155810949
Molecular FormulaC24H20N6O
Molecular Weight408.47 g/mol
Exact Mass408.17
IUPAC Name7-(6-methoxynaphthalen-2-yl)-3-[(4-methylphenyl)diazenyl]pyrazolo[1,5-a]pyrimidin-2-amine
SMILESCOc1ccc2cc(-c3ccnc4c(/N=N/c5ccc(C)cc5)c(N)nn34)ccc2c1
InChIInChI=1S/C24H20N6O/c1-15-3-8-19(9-4-15)27-28-22-23(25)29-30-21(11-12-26-24(22)30)18-6-5-17-14-20(31-2)10-7-16(17)13-18/h3-14H,1-2H3,(H2,25,29)/b28-27+
InChIKeyNRPZHPXWSROVOH-BYYHNAKLSA-N
XLogP5.86
TPSA90.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.47
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-(6-methoxynaphthalen-2-yl)-3-[(4-methylphenyl)diazenyl]pyrazolo[1,5-a]pyrimidin-2-amine?
The IUPAC name of 7-(6-methoxynaphthalen-2-yl)-3-[(4-methylphenyl)diazenyl]pyrazolo[1,5-a]pyrimidin-2-amine (CID 155810949) is 7-(6-methoxynaphthalen-2-yl)-3-[(4-methylphenyl)diazenyl]pyrazolo[1,5-a]pyrimidin-2-amine.
What is the SMILES notation for 7-(6-methoxynaphthalen-2-yl)-3-[(4-methylphenyl)diazenyl]pyrazolo[1,5-a]pyrimidin-2-amine?
The canonical SMILES for 7-(6-methoxynaphthalen-2-yl)-3-[(4-methylphenyl)diazenyl]pyrazolo[1,5-a]pyrimidin-2-amine is COc1ccc2cc(-c3ccnc4c(/N=N/c5ccc(C)cc5)c(N)nn34)ccc2c1.
What is the InChIKey of 7-(6-methoxynaphthalen-2-yl)-3-[(4-methylphenyl)diazenyl]pyrazolo[1,5-a]pyrimidin-2-amine?
The InChIKey is NRPZHPXWSROVOH-BYYHNAKLSA-N. The full InChI is InChI=1S/C24H20N6O/c1-15-3-8-19(9-4-15)27-28-22-23(25)29-30-21(11-12-26-24(22)30)18-6-5-17-14-20(31-2)10-7-16(17)13-18/h3-14H,1-2H3,(H2,25,29)/b28-27+.
What are the key properties of 7-(6-methoxynaphthalen-2-yl)-3-[(4-methylphenyl)diazenyl]pyrazolo[1,5-a]pyrimidin-2-amine?
7-(6-methoxynaphthalen-2-yl)-3-[(4-methylphenyl)diazenyl]pyrazolo[1,5-a]pyrimidin-2-amine has a molecular weight of 408.47 g/mol, XLogP of 5.86, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(6-methoxynaphthalen-2-yl)-3-[(4-methylphenyl)diazenyl]pyrazolo[1,5-a]pyrimidin-2-amine is sourced from PubChem (CID 155810949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).