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

C24H23N7O — CID 59473555

IUPAC6-(1H-indazol-6-yl)-N-[4-(1,4-oxazepan-4-yl)phenyl]imidazo[1,2-a]pyrazin-8-amine
SMILESc1cn2cc(-c3ccc4cn[nH]c4c3)nc(Nc3ccc(N4CCCOCC4)cc3)c2n1
InChIInChI=1S/C24H23N7O/c1-9-30(11-13-32-12-1)20-6-4-19(5-7-20)27-23-24-25-8-10-31(24)16-22(28-23)17-2-3-18-15-26-29-21(18)14-17/h2-8,10,14-16H,1,9,11-13H2,(H,26,29)(H,27,28)
InChIKeyMUBBHSMQBJBMMG-UHFFFAOYSA-N
MW425.50 g/mol
LogP4.24
Rot. Bonds4

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

6-(1H-indazol-6-yl)-N-[4-(1,4-oxazepan-4-yl)phenyl]imidazo[1,2-a]pyrazin-8-amine (PubChem CID 59473555) has the molecular formula C24H23N7O and a molecular weight of 425.50 g/mol. Its IUPAC name is 6-(1H-indazol-6-yl)-N-[4-(1,4-oxazepan-4-yl)phenyl]imidazo[1,2-a]pyrazin-8-amine.

Molecular Properties

Compound Name6-(1H-indazol-6-yl)-N-[4-(1,4-oxazepan-4-yl)phenyl]imidazo[1,2-a]pyrazin-8-amine
PubChem CID59473555
Molecular FormulaC24H23N7O
Molecular Weight425.50 g/mol
Exact Mass425.20
IUPAC Name6-(1H-indazol-6-yl)-N-[4-(1,4-oxazepan-4-yl)phenyl]imidazo[1,2-a]pyrazin-8-amine
SMILESc1cn2cc(-c3ccc4cn[nH]c4c3)nc(Nc3ccc(N4CCCOCC4)cc3)c2n1
InChIInChI=1S/C24H23N7O/c1-9-30(11-13-32-12-1)20-6-4-19(5-7-20)27-23-24-25-8-10-31(24)16-22(28-23)17-2-3-18-15-26-29-21(18)14-17/h2-8,10,14-16H,1,9,11-13H2,(H,26,29)(H,27,28)
InChIKeyMUBBHSMQBJBMMG-UHFFFAOYSA-N
XLogP4.24
TPSA83.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.50
LogP ≤ 54.24
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-(1,4-oxazepan-4-yl)phenyl]imidazo[1,2-a]pyrazin-8-amine?
The IUPAC name of 6-(1H-indazol-6-yl)-N-[4-(1,4-oxazepan-4-yl)phenyl]imidazo[1,2-a]pyrazin-8-amine (CID 59473555) is 6-(1H-indazol-6-yl)-N-[4-(1,4-oxazepan-4-yl)phenyl]imidazo[1,2-a]pyrazin-8-amine.
What is the SMILES notation for 6-(1H-indazol-6-yl)-N-[4-(1,4-oxazepan-4-yl)phenyl]imidazo[1,2-a]pyrazin-8-amine?
The canonical SMILES for 6-(1H-indazol-6-yl)-N-[4-(1,4-oxazepan-4-yl)phenyl]imidazo[1,2-a]pyrazin-8-amine is c1cn2cc(-c3ccc4cn[nH]c4c3)nc(Nc3ccc(N4CCCOCC4)cc3)c2n1.
What is the InChIKey of 6-(1H-indazol-6-yl)-N-[4-(1,4-oxazepan-4-yl)phenyl]imidazo[1,2-a]pyrazin-8-amine?
The InChIKey is MUBBHSMQBJBMMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N7O/c1-9-30(11-13-32-12-1)20-6-4-19(5-7-20)27-23-24-25-8-10-31(24)16-22(28-23)17-2-3-18-15-26-29-21(18)14-17/h2-8,10,14-16H,1,9,11-13H2,(H,26,29)(H,27,28).
What are the key properties of 6-(1H-indazol-6-yl)-N-[4-(1,4-oxazepan-4-yl)phenyl]imidazo[1,2-a]pyrazin-8-amine?
6-(1H-indazol-6-yl)-N-[4-(1,4-oxazepan-4-yl)phenyl]imidazo[1,2-a]pyrazin-8-amine has a molecular weight of 425.50 g/mol, XLogP of 4.24, 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-(1,4-oxazepan-4-yl)phenyl]imidazo[1,2-a]pyrazin-8-amine is sourced from PubChem (CID 59473555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).