3-[8-amino-1-(1-methyl-2-phenylbenzimidazol-5-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol

C25H24N6O — CID 59133172

IUPAC3-[8-amino-1-(1-methyl-2-phenylbenzimidazol-5-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol
SMILESCn1c(-c2ccccc2)nc2cc(-c3nc(C4CC(C)(O)C4)n4ccnc(N)c34)ccc21
InChIInChI=1S/C25H24N6O/c1-25(32)13-17(14-25)24-29-20(21-22(26)27-10-11-31(21)24)16-8-9-19-18(12-16)28-23(30(19)2)15-6-4-3-5-7-15/h3-12,17,32H,13-14H2,1-2H3,(H2,26,27)
InChIKeyNSUWPQOBNRHSCK-UHFFFAOYSA-N
MW424.51 g/mol
LogP4.16
Rot. Bonds3

About 3-[8-amino-1-(1-methyl-2-phenylbenzimidazol-5-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol

3-[8-amino-1-(1-methyl-2-phenylbenzimidazol-5-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol (PubChem CID 59133172) has the molecular formula C25H24N6O and a molecular weight of 424.51 g/mol. Its IUPAC name is 3-[8-amino-1-(1-methyl-2-phenylbenzimidazol-5-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol.

Molecular Properties

Compound Name3-[8-amino-1-(1-methyl-2-phenylbenzimidazol-5-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol
PubChem CID59133172
Molecular FormulaC25H24N6O
Molecular Weight424.51 g/mol
Exact Mass424.20
IUPAC Name3-[8-amino-1-(1-methyl-2-phenylbenzimidazol-5-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol
SMILESCn1c(-c2ccccc2)nc2cc(-c3nc(C4CC(C)(O)C4)n4ccnc(N)c34)ccc21
InChIInChI=1S/C25H24N6O/c1-25(32)13-17(14-25)24-29-20(21-22(26)27-10-11-31(21)24)16-8-9-19-18(12-16)28-23(30(19)2)15-6-4-3-5-7-15/h3-12,17,32H,13-14H2,1-2H3,(H2,26,27)
InChIKeyNSUWPQOBNRHSCK-UHFFFAOYSA-N
XLogP4.16
TPSA94.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.51
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[8-amino-1-(1-methyl-2-phenylbenzimidazol-5-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol?
The IUPAC name of 3-[8-amino-1-(1-methyl-2-phenylbenzimidazol-5-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol (CID 59133172) is 3-[8-amino-1-(1-methyl-2-phenylbenzimidazol-5-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol.
What is the SMILES notation for 3-[8-amino-1-(1-methyl-2-phenylbenzimidazol-5-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol?
The canonical SMILES for 3-[8-amino-1-(1-methyl-2-phenylbenzimidazol-5-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol is Cn1c(-c2ccccc2)nc2cc(-c3nc(C4CC(C)(O)C4)n4ccnc(N)c34)ccc21.
What is the InChIKey of 3-[8-amino-1-(1-methyl-2-phenylbenzimidazol-5-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol?
The InChIKey is NSUWPQOBNRHSCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6O/c1-25(32)13-17(14-25)24-29-20(21-22(26)27-10-11-31(21)24)16-8-9-19-18(12-16)28-23(30(19)2)15-6-4-3-5-7-15/h3-12,17,32H,13-14H2,1-2H3,(H2,26,27).
What are the key properties of 3-[8-amino-1-(1-methyl-2-phenylbenzimidazol-5-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol?
3-[8-amino-1-(1-methyl-2-phenylbenzimidazol-5-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol has a molecular weight of 424.51 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 3-[8-amino-1-(1-methyl-2-phenylbenzimidazol-5-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol is sourced from PubChem (CID 59133172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).