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

C24H19FN6O — CID 66677051

IUPAC3-[8-amino-1-(8-fluoro-2-pyridin-2-ylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutan-1-ol
SMILESNc1nccn2c(C3CC(O)C3)nc(-c3ccc4ccc(-c5ccccn5)nc4c3F)c12
InChIInChI=1S/C24H19FN6O/c25-19-16(6-4-13-5-7-18(29-20(13)19)17-3-1-2-8-27-17)21-22-23(26)28-9-10-31(22)24(30-21)14-11-15(32)12-14/h1-10,14-15,32H,11-12H2,(H2,26,28)
InChIKeyOIWSHRFQGPWBTG-UHFFFAOYSA-N
MW426.46 g/mol
LogP3.97
Rot. Bonds3

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

3-[8-amino-1-(8-fluoro-2-pyridin-2-ylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutan-1-ol (PubChem CID 66677051) has the molecular formula C24H19FN6O and a molecular weight of 426.46 g/mol. Its IUPAC name is 3-[8-amino-1-(8-fluoro-2-pyridin-2-ylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[8-amino-1-(8-fluoro-2-pyridin-2-ylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutan-1-ol
PubChem CID66677051
Molecular FormulaC24H19FN6O
Molecular Weight426.46 g/mol
Exact Mass426.16
IUPAC Name3-[8-amino-1-(8-fluoro-2-pyridin-2-ylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutan-1-ol
SMILESNc1nccn2c(C3CC(O)C3)nc(-c3ccc4ccc(-c5ccccn5)nc4c3F)c12
InChIInChI=1S/C24H19FN6O/c25-19-16(6-4-13-5-7-18(29-20(13)19)17-3-1-2-8-27-17)21-22-23(26)28-9-10-31(22)24(30-21)14-11-15(32)12-14/h1-10,14-15,32H,11-12H2,(H2,26,28)
InChIKeyOIWSHRFQGPWBTG-UHFFFAOYSA-N
XLogP3.97
TPSA102.22 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.46
LogP ≤ 53.97
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-(8-fluoro-2-pyridin-2-ylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutan-1-ol?
The IUPAC name of 3-[8-amino-1-(8-fluoro-2-pyridin-2-ylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutan-1-ol (CID 66677051) is 3-[8-amino-1-(8-fluoro-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-1-(8-fluoro-2-pyridin-2-ylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutan-1-ol?
The canonical SMILES for 3-[8-amino-1-(8-fluoro-2-pyridin-2-ylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutan-1-ol is Nc1nccn2c(C3CC(O)C3)nc(-c3ccc4ccc(-c5ccccn5)nc4c3F)c12.
What is the InChIKey of 3-[8-amino-1-(8-fluoro-2-pyridin-2-ylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutan-1-ol?
The InChIKey is OIWSHRFQGPWBTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN6O/c25-19-16(6-4-13-5-7-18(29-20(13)19)17-3-1-2-8-27-17)21-22-23(26)28-9-10-31(22)24(30-21)14-11-15(32)12-14/h1-10,14-15,32H,11-12H2,(H2,26,28).
What are the key properties of 3-[8-amino-1-(8-fluoro-2-pyridin-2-ylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutan-1-ol?
3-[8-amino-1-(8-fluoro-2-pyridin-2-ylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutan-1-ol has a molecular weight of 426.46 g/mol, XLogP of 3.97, 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-(8-fluoro-2-pyridin-2-ylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutan-1-ol is sourced from PubChem (CID 66677051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).