3-[8-amino-6-(8-fluoro-4-methyl-2-pyridin-2-ylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutan-1-ol

C25H21FN6O — CID 90758834

IUPAC3-[8-amino-6-(8-fluoro-4-methyl-2-pyridin-2-ylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutan-1-ol
SMILESCc1cc(-c2ccccn2)nc2c(F)c(-c3cn4c(C5CC(O)C5)ncc4c(N)n3)ccc12
InChIInChI=1S/C25H21FN6O/c1-13-8-19(18-4-2-3-7-28-18)30-23-16(13)5-6-17(22(23)26)20-12-32-21(24(27)31-20)11-29-25(32)14-9-15(33)10-14/h2-8,11-12,14-15,33H,9-10H2,1H3,(H2,27,31)
InChIKeyDRDYHYWEQUXTFZ-UHFFFAOYSA-N
MW440.48 g/mol
LogP4.27
Rot. Bonds3

About 3-[8-amino-6-(8-fluoro-4-methyl-2-pyridin-2-ylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutan-1-ol

3-[8-amino-6-(8-fluoro-4-methyl-2-pyridin-2-ylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutan-1-ol (PubChem CID 90758834) has the molecular formula C25H21FN6O and a molecular weight of 440.48 g/mol. Its IUPAC name is 3-[8-amino-6-(8-fluoro-4-methyl-2-pyridin-2-ylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[8-amino-6-(8-fluoro-4-methyl-2-pyridin-2-ylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutan-1-ol
PubChem CID90758834
Molecular FormulaC25H21FN6O
Molecular Weight440.48 g/mol
Exact Mass440.18
IUPAC Name3-[8-amino-6-(8-fluoro-4-methyl-2-pyridin-2-ylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutan-1-ol
SMILESCc1cc(-c2ccccn2)nc2c(F)c(-c3cn4c(C5CC(O)C5)ncc4c(N)n3)ccc12
InChIInChI=1S/C25H21FN6O/c1-13-8-19(18-4-2-3-7-28-18)30-23-16(13)5-6-17(22(23)26)20-12-32-21(24(27)31-20)11-29-25(32)14-9-15(33)10-14/h2-8,11-12,14-15,33H,9-10H2,1H3,(H2,27,31)
InChIKeyDRDYHYWEQUXTFZ-UHFFFAOYSA-N
XLogP4.27
TPSA102.22 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.48
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[8-amino-6-(8-fluoro-4-methyl-2-pyridin-2-ylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutan-1-ol?
The IUPAC name of 3-[8-amino-6-(8-fluoro-4-methyl-2-pyridin-2-ylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutan-1-ol (CID 90758834) is 3-[8-amino-6-(8-fluoro-4-methyl-2-pyridin-2-ylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutan-1-ol.
What is the SMILES notation for 3-[8-amino-6-(8-fluoro-4-methyl-2-pyridin-2-ylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutan-1-ol?
The canonical SMILES for 3-[8-amino-6-(8-fluoro-4-methyl-2-pyridin-2-ylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutan-1-ol is Cc1cc(-c2ccccn2)nc2c(F)c(-c3cn4c(C5CC(O)C5)ncc4c(N)n3)ccc12.
What is the InChIKey of 3-[8-amino-6-(8-fluoro-4-methyl-2-pyridin-2-ylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutan-1-ol?
The InChIKey is DRDYHYWEQUXTFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21FN6O/c1-13-8-19(18-4-2-3-7-28-18)30-23-16(13)5-6-17(22(23)26)20-12-32-21(24(27)31-20)11-29-25(32)14-9-15(33)10-14/h2-8,11-12,14-15,33H,9-10H2,1H3,(H2,27,31).
What are the key properties of 3-[8-amino-6-(8-fluoro-4-methyl-2-pyridin-2-ylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutan-1-ol?
3-[8-amino-6-(8-fluoro-4-methyl-2-pyridin-2-ylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutan-1-ol has a molecular weight of 440.48 g/mol, XLogP of 4.27, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[8-amino-6-(8-fluoro-4-methyl-2-pyridin-2-ylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutan-1-ol is sourced from PubChem (CID 90758834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).