N-[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]-1,3-benzoxazol-5-amine

C20H13N7O — CID 46239369

IUPACN-[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]-1,3-benzoxazol-5-amine
SMILESc1cn2cc(-c3ccc4cn[nH]c4c3)nc(Nc3ccc4ocnc4c3)c2n1
InChIInChI=1S/C20H13N7O/c1-2-13-9-23-26-15(13)7-12(1)17-10-27-6-5-21-20(27)19(25-17)24-14-3-4-18-16(8-14)22-11-28-18/h1-11H,(H,23,26)(H,24,25)
InChIKeyXMGDBWUJMQDUNG-UHFFFAOYSA-N
MW367.37 g/mol
LogP4.16
Rot. Bonds3

About N-[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]-1,3-benzoxazol-5-amine

N-[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]-1,3-benzoxazol-5-amine (PubChem CID 46239369) has the molecular formula C20H13N7O and a molecular weight of 367.37 g/mol. Its IUPAC name is N-[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]-1,3-benzoxazol-5-amine.

Molecular Properties

Compound NameN-[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]-1,3-benzoxazol-5-amine
PubChem CID46239369
Molecular FormulaC20H13N7O
Molecular Weight367.37 g/mol
Exact Mass367.12
IUPAC NameN-[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]-1,3-benzoxazol-5-amine
SMILESc1cn2cc(-c3ccc4cn[nH]c4c3)nc(Nc3ccc4ocnc4c3)c2n1
InChIInChI=1S/C20H13N7O/c1-2-13-9-23-26-15(13)7-12(1)17-10-27-6-5-21-20(27)19(25-17)24-14-3-4-18-16(8-14)22-11-28-18/h1-11H,(H,23,26)(H,24,25)
InChIKeyXMGDBWUJMQDUNG-UHFFFAOYSA-N
XLogP4.16
TPSA96.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.37
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]-1,3-benzoxazol-5-amine?
The IUPAC name of N-[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]-1,3-benzoxazol-5-amine (CID 46239369) is N-[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]-1,3-benzoxazol-5-amine.
What is the SMILES notation for N-[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]-1,3-benzoxazol-5-amine?
The canonical SMILES for N-[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]-1,3-benzoxazol-5-amine is c1cn2cc(-c3ccc4cn[nH]c4c3)nc(Nc3ccc4ocnc4c3)c2n1.
What is the InChIKey of N-[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]-1,3-benzoxazol-5-amine?
The InChIKey is XMGDBWUJMQDUNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13N7O/c1-2-13-9-23-26-15(13)7-12(1)17-10-27-6-5-21-20(27)19(25-17)24-14-3-4-18-16(8-14)22-11-28-18/h1-11H,(H,23,26)(H,24,25).
What are the key properties of N-[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]-1,3-benzoxazol-5-amine?
N-[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]-1,3-benzoxazol-5-amine has a molecular weight of 367.37 g/mol, XLogP of 4.16, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]-1,3-benzoxazol-5-amine is sourced from PubChem (CID 46239369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).