3-[8-amino-1-(2-phenyl-4-propan-2-yloxyquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol

C29H29N5O2 — CID 71762925

IUPAC3-[8-amino-1-(2-phenyl-4-propan-2-yloxyquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol
SMILESCC(C)Oc1cc(-c2ccccc2)nc2cc(-c3nc(C4CC(C)(O)C4)n4ccnc(N)c34)ccc12
InChIInChI=1S/C29H29N5O2/c1-17(2)36-24-14-22(18-7-5-4-6-8-18)32-23-13-19(9-10-21(23)24)25-26-27(30)31-11-12-34(26)28(33-25)20-15-29(3,35)16-20/h4-14,17,20,35H,15-16H2,1-3H3,(H2,30,31)
InChIKeyHSCSCGOSCLPFHX-UHFFFAOYSA-N
MW479.58 g/mol
LogP5.61
Rot. Bonds5

About 3-[8-amino-1-(2-phenyl-4-propan-2-yloxyquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol

3-[8-amino-1-(2-phenyl-4-propan-2-yloxyquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol (PubChem CID 71762925) has the molecular formula C29H29N5O2 and a molecular weight of 479.58 g/mol. Its IUPAC name is 3-[8-amino-1-(2-phenyl-4-propan-2-yloxyquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol.

Molecular Properties

Compound Name3-[8-amino-1-(2-phenyl-4-propan-2-yloxyquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol
PubChem CID71762925
Molecular FormulaC29H29N5O2
Molecular Weight479.58 g/mol
Exact Mass479.23
IUPAC Name3-[8-amino-1-(2-phenyl-4-propan-2-yloxyquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol
SMILESCC(C)Oc1cc(-c2ccccc2)nc2cc(-c3nc(C4CC(C)(O)C4)n4ccnc(N)c34)ccc12
InChIInChI=1S/C29H29N5O2/c1-17(2)36-24-14-22(18-7-5-4-6-8-18)32-23-13-19(9-10-21(23)24)25-26-27(30)31-11-12-34(26)28(33-25)20-15-29(3,35)16-20/h4-14,17,20,35H,15-16H2,1-3H3,(H2,30,31)
InChIKeyHSCSCGOSCLPFHX-UHFFFAOYSA-N
XLogP5.61
TPSA98.56 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.58
LogP ≤ 55.61
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-(2-phenyl-4-propan-2-yloxyquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol?
The IUPAC name of 3-[8-amino-1-(2-phenyl-4-propan-2-yloxyquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol (CID 71762925) is 3-[8-amino-1-(2-phenyl-4-propan-2-yloxyquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol.
What is the SMILES notation for 3-[8-amino-1-(2-phenyl-4-propan-2-yloxyquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol?
The canonical SMILES for 3-[8-amino-1-(2-phenyl-4-propan-2-yloxyquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol is CC(C)Oc1cc(-c2ccccc2)nc2cc(-c3nc(C4CC(C)(O)C4)n4ccnc(N)c34)ccc12.
What is the InChIKey of 3-[8-amino-1-(2-phenyl-4-propan-2-yloxyquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol?
The InChIKey is HSCSCGOSCLPFHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N5O2/c1-17(2)36-24-14-22(18-7-5-4-6-8-18)32-23-13-19(9-10-21(23)24)25-26-27(30)31-11-12-34(26)28(33-25)20-15-29(3,35)16-20/h4-14,17,20,35H,15-16H2,1-3H3,(H2,30,31).
What are the key properties of 3-[8-amino-1-(2-phenyl-4-propan-2-yloxyquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol?
3-[8-amino-1-(2-phenyl-4-propan-2-yloxyquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol has a molecular weight of 479.58 g/mol, XLogP of 5.61, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[8-amino-1-(2-phenyl-4-propan-2-yloxyquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol is sourced from PubChem (CID 71762925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).