5-(8-amino-3-cyclopropylimidazo[1,5-a]pyrazin-1-yl)-1,3-benzoxazol-2-amine

C16H14N6O — CID 172560854

IUPAC5-(8-amino-3-cyclopropylimidazo[1,5-a]pyrazin-1-yl)-1,3-benzoxazol-2-amine
SMILESNc1nc2cc(-c3nc(C4CC4)n4ccnc(N)c34)ccc2o1
InChIInChI=1S/C16H14N6O/c17-14-13-12(9-3-4-11-10(7-9)20-16(18)23-11)21-15(8-1-2-8)22(13)6-5-19-14/h3-8H,1-2H2,(H2,17,19)(H2,18,20)
InChIKeyGICQXKFOBWYHFA-UHFFFAOYSA-N
MW306.33 g/mol
LogP2.58
Rot. Bonds2

About 5-(8-amino-3-cyclopropylimidazo[1,5-a]pyrazin-1-yl)-1,3-benzoxazol-2-amine

5-(8-amino-3-cyclopropylimidazo[1,5-a]pyrazin-1-yl)-1,3-benzoxazol-2-amine (PubChem CID 172560854) has the molecular formula C16H14N6O and a molecular weight of 306.33 g/mol. Its IUPAC name is 5-(8-amino-3-cyclopropylimidazo[1,5-a]pyrazin-1-yl)-1,3-benzoxazol-2-amine.

Molecular Properties

Compound Name5-(8-amino-3-cyclopropylimidazo[1,5-a]pyrazin-1-yl)-1,3-benzoxazol-2-amine
PubChem CID172560854
Molecular FormulaC16H14N6O
Molecular Weight306.33 g/mol
Exact Mass306.12
IUPAC Name5-(8-amino-3-cyclopropylimidazo[1,5-a]pyrazin-1-yl)-1,3-benzoxazol-2-amine
SMILESNc1nc2cc(-c3nc(C4CC4)n4ccnc(N)c34)ccc2o1
InChIInChI=1S/C16H14N6O/c17-14-13-12(9-3-4-11-10(7-9)20-16(18)23-11)21-15(8-1-2-8)22(13)6-5-19-14/h3-8H,1-2H2,(H2,17,19)(H2,18,20)
InChIKeyGICQXKFOBWYHFA-UHFFFAOYSA-N
XLogP2.58
TPSA108.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-(8-amino-3-tert-butylimidazo[1,5-a]pyrazin-1-yl)-1,3-benzoxazol-2-amine
CID 172560855
3-cyclobutyl-1-(3-phenylquinoxalin-6-yl)imidazo[1,5-a]pyrazin-8-amine
CID 11560235
3-[4-(methylaminomethyl)cyclohexyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine
CID 71179461
3-cyclobutyl-1-[4-(oxan-2-ylsulfanyl)phenyl]imidazo[1,5-a]pyrazin-8-amine
CID 44539386
3-cyclohexyl-1-(2-pyridin-2-ylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine
CID 68899663
3-cyclobutyl-1-(4-methyl-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine
CID 11718383
[4-(8-amino-3-cyclobutylimidazo[1,5-a]pyrazin-1-yl)phenyl]-phenylmethanone
CID 44539284
carbamic acid;3-cyclohexyl-1-(2-phenoxyquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine
CID 68898085
7-(8-amino-3-cyclohexylimidazo[1,5-a]pyrazin-1-yl)-4-methyl-N-phenylquinolin-2-amine
CID 68898257
3-(3-methylcyclobutyl)-1-(4-methyl-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine
CID 70905183
3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-(trideuteriomethyl)cyclobutan-1-ol
CID 52915009
3-cyclobutyl-1-[4-[(2,3-difluorophenyl)methyl]phenyl]imidazo[1,5-a]pyrazin-8-amine
CID 70921906

Frequently Asked Questions

What is the IUPAC name of 5-(8-amino-3-cyclopropylimidazo[1,5-a]pyrazin-1-yl)-1,3-benzoxazol-2-amine?
The IUPAC name of 5-(8-amino-3-cyclopropylimidazo[1,5-a]pyrazin-1-yl)-1,3-benzoxazol-2-amine (CID 172560854) is 5-(8-amino-3-cyclopropylimidazo[1,5-a]pyrazin-1-yl)-1,3-benzoxazol-2-amine.
What is the SMILES notation for 5-(8-amino-3-cyclopropylimidazo[1,5-a]pyrazin-1-yl)-1,3-benzoxazol-2-amine?
The canonical SMILES for 5-(8-amino-3-cyclopropylimidazo[1,5-a]pyrazin-1-yl)-1,3-benzoxazol-2-amine is Nc1nc2cc(-c3nc(C4CC4)n4ccnc(N)c34)ccc2o1.
What is the InChIKey of 5-(8-amino-3-cyclopropylimidazo[1,5-a]pyrazin-1-yl)-1,3-benzoxazol-2-amine?
The InChIKey is GICQXKFOBWYHFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N6O/c17-14-13-12(9-3-4-11-10(7-9)20-16(18)23-11)21-15(8-1-2-8)22(13)6-5-19-14/h3-8H,1-2H2,(H2,17,19)(H2,18,20).
What are the key properties of 5-(8-amino-3-cyclopropylimidazo[1,5-a]pyrazin-1-yl)-1,3-benzoxazol-2-amine?
5-(8-amino-3-cyclopropylimidazo[1,5-a]pyrazin-1-yl)-1,3-benzoxazol-2-amine has a molecular weight of 306.33 g/mol, XLogP of 2.58, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(8-amino-3-cyclopropylimidazo[1,5-a]pyrazin-1-yl)-1,3-benzoxazol-2-amine is sourced from PubChem (CID 172560854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).