5-fluoro-1-imidazo[1,2-a]pyrimidin-6-yl-3,3-dimethyl-4H-isoquinoline

C17H15FN4 — CID 126682282

IUPAC5-fluoro-1-imidazo[1,2-a]pyrimidin-6-yl-3,3-dimethyl-4H-isoquinoline
SMILESCC1(C)Cc2c(F)cccc2C(c2cnc3nccn3c2)=N1
InChIInChI=1S/C17H15FN4/c1-17(2)8-13-12(4-3-5-14(13)18)15(21-17)11-9-20-16-19-6-7-22(16)10-11/h3-7,9-10H,8H2,1-2H3
InChIKeyRCTQFJKZHBMTBA-UHFFFAOYSA-N
MW294.33 g/mol
LogP3.04
Rot. Bonds1

About 5-fluoro-1-imidazo[1,2-a]pyrimidin-6-yl-3,3-dimethyl-4H-isoquinoline

5-fluoro-1-imidazo[1,2-a]pyrimidin-6-yl-3,3-dimethyl-4H-isoquinoline (PubChem CID 126682282) has the molecular formula C17H15FN4 and a molecular weight of 294.33 g/mol. Its IUPAC name is 5-fluoro-1-imidazo[1,2-a]pyrimidin-6-yl-3,3-dimethyl-4H-isoquinoline.

Molecular Properties

Compound Name5-fluoro-1-imidazo[1,2-a]pyrimidin-6-yl-3,3-dimethyl-4H-isoquinoline
PubChem CID126682282
Molecular FormulaC17H15FN4
Molecular Weight294.33 g/mol
Exact Mass294.13
IUPAC Name5-fluoro-1-imidazo[1,2-a]pyrimidin-6-yl-3,3-dimethyl-4H-isoquinoline
SMILESCC1(C)Cc2c(F)cccc2C(c2cnc3nccn3c2)=N1
InChIInChI=1S/C17H15FN4/c1-17(2)8-13-12(4-3-5-14(13)18)15(21-17)11-9-20-16-19-6-7-22(16)10-11/h3-7,9-10H,8H2,1-2H3
InChIKeyRCTQFJKZHBMTBA-UHFFFAOYSA-N
XLogP3.04
TPSA42.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-imidazo[1,2-a]pyrimidin-6-yl-3,3-dimethyl-4H-isoquinoline?
The IUPAC name of 5-fluoro-1-imidazo[1,2-a]pyrimidin-6-yl-3,3-dimethyl-4H-isoquinoline (CID 126682282) is 5-fluoro-1-imidazo[1,2-a]pyrimidin-6-yl-3,3-dimethyl-4H-isoquinoline.
What is the SMILES notation for 5-fluoro-1-imidazo[1,2-a]pyrimidin-6-yl-3,3-dimethyl-4H-isoquinoline?
The canonical SMILES for 5-fluoro-1-imidazo[1,2-a]pyrimidin-6-yl-3,3-dimethyl-4H-isoquinoline is CC1(C)Cc2c(F)cccc2C(c2cnc3nccn3c2)=N1.
What is the InChIKey of 5-fluoro-1-imidazo[1,2-a]pyrimidin-6-yl-3,3-dimethyl-4H-isoquinoline?
The InChIKey is RCTQFJKZHBMTBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4/c1-17(2)8-13-12(4-3-5-14(13)18)15(21-17)11-9-20-16-19-6-7-22(16)10-11/h3-7,9-10H,8H2,1-2H3.
What are the key properties of 5-fluoro-1-imidazo[1,2-a]pyrimidin-6-yl-3,3-dimethyl-4H-isoquinoline?
5-fluoro-1-imidazo[1,2-a]pyrimidin-6-yl-3,3-dimethyl-4H-isoquinoline has a molecular weight of 294.33 g/mol, XLogP of 3.04, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-imidazo[1,2-a]pyrimidin-6-yl-3,3-dimethyl-4H-isoquinoline is sourced from PubChem (CID 126682282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).