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

C24H20FN5OS — CID 24861349

IUPAC3-[8-amino-1-(8-fluoro-4-methyl-2-thiophen-2-ylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutan-1-ol
SMILESCc1cc(-c2cccs2)nc2c(F)c(-c3nc(C4CC(O)C4)n4ccnc(N)c34)ccc12
InChIInChI=1S/C24H20FN5OS/c1-12-9-17(18-3-2-8-32-18)28-20-15(12)4-5-16(19(20)25)21-22-23(26)27-6-7-30(22)24(29-21)13-10-14(31)11-13/h2-9,13-14,31H,10-11H2,1H3,(H2,26,27)
InChIKeyFCCPCXYUVSJPMH-UHFFFAOYSA-N
MW445.52 g/mol
LogP4.94
Rot. Bonds3

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

3-[8-amino-1-(8-fluoro-4-methyl-2-thiophen-2-ylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutan-1-ol (PubChem CID 24861349) has the molecular formula C24H20FN5OS and a molecular weight of 445.52 g/mol. Its IUPAC name is 3-[8-amino-1-(8-fluoro-4-methyl-2-thiophen-2-ylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[8-amino-1-(8-fluoro-4-methyl-2-thiophen-2-ylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutan-1-ol
PubChem CID24861349
Molecular FormulaC24H20FN5OS
Molecular Weight445.52 g/mol
Exact Mass445.14
IUPAC Name3-[8-amino-1-(8-fluoro-4-methyl-2-thiophen-2-ylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutan-1-ol
SMILESCc1cc(-c2cccs2)nc2c(F)c(-c3nc(C4CC(O)C4)n4ccnc(N)c34)ccc12
InChIInChI=1S/C24H20FN5OS/c1-12-9-17(18-3-2-8-32-18)28-20-15(12)4-5-16(19(20)25)21-22-23(26)27-6-7-30(22)24(29-21)13-10-14(31)11-13/h2-9,13-14,31H,10-11H2,1H3,(H2,26,27)
InChIKeyFCCPCXYUVSJPMH-UHFFFAOYSA-N
XLogP4.94
TPSA89.33 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.52
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-[8-amino-1-(8-fluoro-4-methyl-2-thiophen-2-ylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutan-1-ol with MolForge

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Related Compounds

CID 11640390
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CID 57961036
CID 172448005
CID 172448005
CID 11589565
CID 11589565
CID 178294632
CID 178294632
CID 11631533
CID 11631533
CID 171359290
CID 171359290
CID 17838433
CID 17838433
CID 17838489
CID 17838489
CID 17838527
CID 17838527
CID 17838532
CID 17838532

Frequently Asked Questions

What is the IUPAC name of 3-[8-amino-1-(8-fluoro-4-methyl-2-thiophen-2-ylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutan-1-ol?
The IUPAC name of 3-[8-amino-1-(8-fluoro-4-methyl-2-thiophen-2-ylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutan-1-ol (CID 24861349) is 3-[8-amino-1-(8-fluoro-4-methyl-2-thiophen-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-4-methyl-2-thiophen-2-ylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutan-1-ol?
The canonical SMILES for 3-[8-amino-1-(8-fluoro-4-methyl-2-thiophen-2-ylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutan-1-ol is Cc1cc(-c2cccs2)nc2c(F)c(-c3nc(C4CC(O)C4)n4ccnc(N)c34)ccc12.
What is the InChIKey of 3-[8-amino-1-(8-fluoro-4-methyl-2-thiophen-2-ylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutan-1-ol?
The InChIKey is FCCPCXYUVSJPMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN5OS/c1-12-9-17(18-3-2-8-32-18)28-20-15(12)4-5-16(19(20)25)21-22-23(26)27-6-7-30(22)24(29-21)13-10-14(31)11-13/h2-9,13-14,31H,10-11H2,1H3,(H2,26,27).
What are the key properties of 3-[8-amino-1-(8-fluoro-4-methyl-2-thiophen-2-ylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutan-1-ol?
3-[8-amino-1-(8-fluoro-4-methyl-2-thiophen-2-ylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutan-1-ol has a molecular weight of 445.52 g/mol, XLogP of 4.94, 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-4-methyl-2-thiophen-2-ylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutan-1-ol is sourced from PubChem (CID 24861349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).