8-[(2-fluorophenyl)methyl]imidazo[1,5-a]pyrimidine-6-carboxylic acid

C14H10FN3O2 — CID 141366500

IUPAC8-[(2-fluorophenyl)methyl]imidazo[1,5-a]pyrimidine-6-carboxylic acid
SMILESO=C(O)c1nc(Cc2ccccc2F)c2ncccn12
InChIInChI=1S/C14H10FN3O2/c15-10-5-2-1-4-9(10)8-11-12-16-6-3-7-18(12)13(17-11)14(19)20/h1-7H,8H2,(H,19,20)
InChIKeyKUAFPUIFRGVDGH-UHFFFAOYSA-N
MW271.25 g/mol
LogP2.16
Rot. Bonds3

About 8-[(2-fluorophenyl)methyl]imidazo[1,5-a]pyrimidine-6-carboxylic acid

8-[(2-fluorophenyl)methyl]imidazo[1,5-a]pyrimidine-6-carboxylic acid (PubChem CID 141366500) has the molecular formula C14H10FN3O2 and a molecular weight of 271.25 g/mol. Its IUPAC name is 8-[(2-fluorophenyl)methyl]imidazo[1,5-a]pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name8-[(2-fluorophenyl)methyl]imidazo[1,5-a]pyrimidine-6-carboxylic acid
PubChem CID141366500
Molecular FormulaC14H10FN3O2
Molecular Weight271.25 g/mol
Exact Mass271.08
IUPAC Name8-[(2-fluorophenyl)methyl]imidazo[1,5-a]pyrimidine-6-carboxylic acid
SMILESO=C(O)c1nc(Cc2ccccc2F)c2ncccn12
InChIInChI=1S/C14H10FN3O2/c15-10-5-2-1-4-9(10)8-11-12-16-6-3-7-18(12)13(17-11)14(19)20/h1-7H,8H2,(H,19,20)
InChIKeyKUAFPUIFRGVDGH-UHFFFAOYSA-N
XLogP2.16
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.25
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid
CID 117147696
N'-amino-8-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyrazine-6-carboximidamide
CID 154003447
2-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
CID 82566740
3-[[2-(2-fluorophenyl)acetyl]amino]pyridine-2-carboxylic acid
CID 104740235
2-ethyl-5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1,2,4-triazole-3-carboxylic acid
CID 130229228
3-[(2-fluorophenyl)methyl]imidazo[1,5-a]pyridine-7-carboxylic acid
CID 117145232
2-(8-fluoro-2-pyridin-2-ylimidazo[1,2-a]pyridin-3-yl)acetic acid
CID 82529255
2-[(2-fluorophenyl)methyl]-4-pyridin-2-yl-1,3-thiazole-5-carboxylic acid
CID 94970777
butan-2-one;8-[(2-fluorophenyl)methyl]-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[1,2-a]pyrazine
CID 139467739
[4-amino-2-[3-[(2-fluorophenyl)methyl]pyrazolo[4,3-b]pyridin-1-yl]pyrimidin-5-yl]carbamic acid
CID 118247345
1-[(2-fluorophenyl)methyl]-4-(pyridin-2-ylmethyl)piperazine;oxalic acid
CID 2926624
1-(2-fluorophenyl)-N-(pyridin-2-ylmethyl)methanamine;oxalic acid
CID 17052907

Frequently Asked Questions

What is the IUPAC name of 8-[(2-fluorophenyl)methyl]imidazo[1,5-a]pyrimidine-6-carboxylic acid?
The IUPAC name of 8-[(2-fluorophenyl)methyl]imidazo[1,5-a]pyrimidine-6-carboxylic acid (CID 141366500) is 8-[(2-fluorophenyl)methyl]imidazo[1,5-a]pyrimidine-6-carboxylic acid.
What is the SMILES notation for 8-[(2-fluorophenyl)methyl]imidazo[1,5-a]pyrimidine-6-carboxylic acid?
The canonical SMILES for 8-[(2-fluorophenyl)methyl]imidazo[1,5-a]pyrimidine-6-carboxylic acid is O=C(O)c1nc(Cc2ccccc2F)c2ncccn12.
What is the InChIKey of 8-[(2-fluorophenyl)methyl]imidazo[1,5-a]pyrimidine-6-carboxylic acid?
The InChIKey is KUAFPUIFRGVDGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN3O2/c15-10-5-2-1-4-9(10)8-11-12-16-6-3-7-18(12)13(17-11)14(19)20/h1-7H,8H2,(H,19,20).
What are the key properties of 8-[(2-fluorophenyl)methyl]imidazo[1,5-a]pyrimidine-6-carboxylic acid?
8-[(2-fluorophenyl)methyl]imidazo[1,5-a]pyrimidine-6-carboxylic acid has a molecular weight of 271.25 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2-fluorophenyl)methyl]imidazo[1,5-a]pyrimidine-6-carboxylic acid is sourced from PubChem (CID 141366500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).