N-[4-(4-ethylpiperazin-1-yl)phenyl]-6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-amine

C25H26N8 — CID 59473368

IUPACN-[4-(4-ethylpiperazin-1-yl)phenyl]-6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-amine
SMILESCCN1CCN(c2ccc(Nc3nc(-c4ccc5cn[nH]c5c4)cn4ccnc34)cc2)CC1
InChIInChI=1S/C25H26N8/c1-2-31-11-13-32(14-12-31)21-7-5-20(6-8-21)28-24-25-26-9-10-33(25)17-23(29-24)18-3-4-19-16-27-30-22(19)15-18/h3-10,15-17H,2,11-14H2,1H3,(H,27,30)(H,28,29)
InChIKeyZOAWTCISMWOTGW-UHFFFAOYSA-N
MW438.54 g/mol
LogP4.16
Rot. Bonds5

About N-[4-(4-ethylpiperazin-1-yl)phenyl]-6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-amine

N-[4-(4-ethylpiperazin-1-yl)phenyl]-6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-amine (PubChem CID 59473368) has the molecular formula C25H26N8 and a molecular weight of 438.54 g/mol. Its IUPAC name is N-[4-(4-ethylpiperazin-1-yl)phenyl]-6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-amine.

Molecular Properties

Compound NameN-[4-(4-ethylpiperazin-1-yl)phenyl]-6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-amine
PubChem CID59473368
Molecular FormulaC25H26N8
Molecular Weight438.54 g/mol
Exact Mass438.23
IUPAC NameN-[4-(4-ethylpiperazin-1-yl)phenyl]-6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-amine
SMILESCCN1CCN(c2ccc(Nc3nc(-c4ccc5cn[nH]c5c4)cn4ccnc34)cc2)CC1
InChIInChI=1S/C25H26N8/c1-2-31-11-13-32(14-12-31)21-7-5-20(6-8-21)28-24-25-26-9-10-33(25)17-23(29-24)18-3-4-19-16-27-30-22(19)15-18/h3-10,15-17H,2,11-14H2,1H3,(H,27,30)(H,28,29)
InChIKeyZOAWTCISMWOTGW-UHFFFAOYSA-N
XLogP4.16
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.54
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-ethylpiperazin-1-yl)phenyl]-6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-amine?
The IUPAC name of N-[4-(4-ethylpiperazin-1-yl)phenyl]-6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-amine (CID 59473368) is N-[4-(4-ethylpiperazin-1-yl)phenyl]-6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-amine.
What is the SMILES notation for N-[4-(4-ethylpiperazin-1-yl)phenyl]-6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-amine?
The canonical SMILES for N-[4-(4-ethylpiperazin-1-yl)phenyl]-6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-amine is CCN1CCN(c2ccc(Nc3nc(-c4ccc5cn[nH]c5c4)cn4ccnc34)cc2)CC1.
What is the InChIKey of N-[4-(4-ethylpiperazin-1-yl)phenyl]-6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-amine?
The InChIKey is ZOAWTCISMWOTGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N8/c1-2-31-11-13-32(14-12-31)21-7-5-20(6-8-21)28-24-25-26-9-10-33(25)17-23(29-24)18-3-4-19-16-27-30-22(19)15-18/h3-10,15-17H,2,11-14H2,1H3,(H,27,30)(H,28,29).
What are the key properties of N-[4-(4-ethylpiperazin-1-yl)phenyl]-6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-amine?
N-[4-(4-ethylpiperazin-1-yl)phenyl]-6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-amine has a molecular weight of 438.54 g/mol, XLogP of 4.16, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-ethylpiperazin-1-yl)phenyl]-6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-amine is sourced from PubChem (CID 59473368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).