6-(3-aminophenyl)-N-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-amine

C19H17N5O — CID 52949491

IUPAC6-(3-aminophenyl)-N-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-amine
SMILESCOc1ccc(Nc2nc(-c3cccc(N)c3)cn3ccnc23)cc1
InChIInChI=1S/C19H17N5O/c1-25-16-7-5-15(6-8-16)22-18-19-21-9-10-24(19)12-17(23-18)13-3-2-4-14(20)11-13/h2-12H,20H2,1H3,(H,22,23)
InChIKeyCZCFVUASEDHTAW-UHFFFAOYSA-N
MW331.38 g/mol
LogP3.73
Rot. Bonds4

About 6-(3-aminophenyl)-N-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-amine

6-(3-aminophenyl)-N-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-amine (PubChem CID 52949491) has the molecular formula C19H17N5O and a molecular weight of 331.38 g/mol. Its IUPAC name is 6-(3-aminophenyl)-N-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-amine.

Molecular Properties

Compound Name6-(3-aminophenyl)-N-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-amine
PubChem CID52949491
Molecular FormulaC19H17N5O
Molecular Weight331.38 g/mol
Exact Mass331.14
IUPAC Name6-(3-aminophenyl)-N-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-amine
SMILESCOc1ccc(Nc2nc(-c3cccc(N)c3)cn3ccnc23)cc1
InChIInChI=1S/C19H17N5O/c1-25-16-7-5-15(6-8-16)22-18-19-21-9-10-24(19)12-17(23-18)13-3-2-4-14(20)11-13/h2-12H,20H2,1H3,(H,22,23)
InChIKeyCZCFVUASEDHTAW-UHFFFAOYSA-N
XLogP3.73
TPSA77.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(3-aminophenyl)-N-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-amine?
The IUPAC name of 6-(3-aminophenyl)-N-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-amine (CID 52949491) is 6-(3-aminophenyl)-N-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-amine.
What is the SMILES notation for 6-(3-aminophenyl)-N-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-amine?
The canonical SMILES for 6-(3-aminophenyl)-N-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-amine is COc1ccc(Nc2nc(-c3cccc(N)c3)cn3ccnc23)cc1.
What is the InChIKey of 6-(3-aminophenyl)-N-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-amine?
The InChIKey is CZCFVUASEDHTAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O/c1-25-16-7-5-15(6-8-16)22-18-19-21-9-10-24(19)12-17(23-18)13-3-2-4-14(20)11-13/h2-12H,20H2,1H3,(H,22,23).
What are the key properties of 6-(3-aminophenyl)-N-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-amine?
6-(3-aminophenyl)-N-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-amine has a molecular weight of 331.38 g/mol, XLogP of 3.73, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-aminophenyl)-N-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-amine is sourced from PubChem (CID 52949491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).