6-(1H-indazol-6-yl)-N-[4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)phenyl]imidazo[1,2-a]pyrazin-8-amine

C24H21N7O — CID 46234930

IUPAC6-(1H-indazol-6-yl)-N-[4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)phenyl]imidazo[1,2-a]pyrazin-8-amine
SMILESc1cn2cc(-c3ccc4cn[nH]c4c3)nc(Nc3ccc(N4CC5(COC5)C4)cc3)c2n1
InChIInChI=1S/C24H21N7O/c1-2-17-10-26-29-20(17)9-16(1)21-11-30-8-7-25-23(30)22(28-21)27-18-3-5-19(6-4-18)31-12-24(13-31)14-32-15-24/h1-11H,12-15H2,(H,26,29)(H,27,28)
InChIKeyIUESGRQIZDYJES-UHFFFAOYSA-N
MW423.48 g/mol
LogP3.85
Rot. Bonds4

About 6-(1H-indazol-6-yl)-N-[4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)phenyl]imidazo[1,2-a]pyrazin-8-amine

6-(1H-indazol-6-yl)-N-[4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)phenyl]imidazo[1,2-a]pyrazin-8-amine (PubChem CID 46234930) has the molecular formula C24H21N7O and a molecular weight of 423.48 g/mol. Its IUPAC name is 6-(1H-indazol-6-yl)-N-[4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)phenyl]imidazo[1,2-a]pyrazin-8-amine.

Molecular Properties

Compound Name6-(1H-indazol-6-yl)-N-[4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)phenyl]imidazo[1,2-a]pyrazin-8-amine
PubChem CID46234930
Molecular FormulaC24H21N7O
Molecular Weight423.48 g/mol
Exact Mass423.18
IUPAC Name6-(1H-indazol-6-yl)-N-[4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)phenyl]imidazo[1,2-a]pyrazin-8-amine
SMILESc1cn2cc(-c3ccc4cn[nH]c4c3)nc(Nc3ccc(N4CC5(COC5)C4)cc3)c2n1
InChIInChI=1S/C24H21N7O/c1-2-17-10-26-29-20(17)9-16(1)21-11-30-8-7-25-23(30)22(28-21)27-18-3-5-19(6-4-18)31-12-24(13-31)14-32-15-24/h1-11H,12-15H2,(H,26,29)(H,27,28)
InChIKeyIUESGRQIZDYJES-UHFFFAOYSA-N
XLogP3.85
TPSA83.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.48
LogP ≤ 53.85
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 6-(1H-indazol-6-yl)-N-[4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)phenyl]imidazo[1,2-a]pyrazin-8-amine?
The IUPAC name of 6-(1H-indazol-6-yl)-N-[4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)phenyl]imidazo[1,2-a]pyrazin-8-amine (CID 46234930) is 6-(1H-indazol-6-yl)-N-[4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)phenyl]imidazo[1,2-a]pyrazin-8-amine.
What is the SMILES notation for 6-(1H-indazol-6-yl)-N-[4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)phenyl]imidazo[1,2-a]pyrazin-8-amine?
The canonical SMILES for 6-(1H-indazol-6-yl)-N-[4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)phenyl]imidazo[1,2-a]pyrazin-8-amine is c1cn2cc(-c3ccc4cn[nH]c4c3)nc(Nc3ccc(N4CC5(COC5)C4)cc3)c2n1.
What is the InChIKey of 6-(1H-indazol-6-yl)-N-[4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)phenyl]imidazo[1,2-a]pyrazin-8-amine?
The InChIKey is IUESGRQIZDYJES-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N7O/c1-2-17-10-26-29-20(17)9-16(1)21-11-30-8-7-25-23(30)22(28-21)27-18-3-5-19(6-4-18)31-12-24(13-31)14-32-15-24/h1-11H,12-15H2,(H,26,29)(H,27,28).
What are the key properties of 6-(1H-indazol-6-yl)-N-[4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)phenyl]imidazo[1,2-a]pyrazin-8-amine?
6-(1H-indazol-6-yl)-N-[4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)phenyl]imidazo[1,2-a]pyrazin-8-amine has a molecular weight of 423.48 g/mol, XLogP of 3.85, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1H-indazol-6-yl)-N-[4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)phenyl]imidazo[1,2-a]pyrazin-8-amine is sourced from PubChem (CID 46234930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).