6-(3-amino-2-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid

C14H14FN3O2 — CID 170562199

IUPAC6-(3-amino-2-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
SMILESNc1cccc(C2CCc3c(C(=O)O)ncn3C2)c1F
InChIInChI=1S/C14H14FN3O2/c15-12-9(2-1-3-10(12)16)8-4-5-11-13(14(19)20)17-7-18(11)6-8/h1-3,7-8H,4-6,16H2,(H,19,20)
InChIKeyHOECRGAAQKLXJP-UHFFFAOYSA-N
MW275.28 g/mol
LogP2.03
Rot. Bonds2

About 6-(3-amino-2-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid

6-(3-amino-2-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid (PubChem CID 170562199) has the molecular formula C14H14FN3O2 and a molecular weight of 275.28 g/mol. Its IUPAC name is 6-(3-amino-2-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid.

Molecular Properties

Compound Name6-(3-amino-2-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
PubChem CID170562199
Molecular FormulaC14H14FN3O2
Molecular Weight275.28 g/mol
Exact Mass275.11
IUPAC Name6-(3-amino-2-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
SMILESNc1cccc(C2CCc3c(C(=O)O)ncn3C2)c1F
InChIInChI=1S/C14H14FN3O2/c15-12-9(2-1-3-10(12)16)8-4-5-11-13(14(19)20)17-7-18(11)6-8/h1-3,7-8H,4-6,16H2,(H,19,20)
InChIKeyHOECRGAAQKLXJP-UHFFFAOYSA-N
XLogP2.03
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.28
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(2,3-dihydro-1H-inden-1-yl)-5-phenylimidazole-4-carboxylic acid
CID 59324919
2-[3-(2,3-difluorophenyl)azepan-1-yl]acetamide
CID 143222297
6,7,8,9-tetrahydro-5H-imidazo[1,5-d][1,4]diazepine-1-carboxylic acid
CID 82408488
(1R)-4-amino-2,3-dihydro-1H-indene-1-carboxylic acid
CID 86332255
7-oxo-6,8-dihydro-5H-imidazo[1,5-a]pyridine-1-carboxylic acid
CID 105438527
3-[1-(cyclopropanecarbonyl)azetidin-3-yl]-2-fluorobenzoic acid
CID 176582398
7-amino-1-tert-butyl-6-fluoro-1,3,4,5-tetrahydro-2-benzazepine-2-carboxylic acid
CID 69123481
1-(2,3-difluorophenyl)-5-methyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid
CID 61296065
3-[1-(bicyclo[1.1.0]butane-1-carbonyl)piperidin-3-yl]-2-fluorobenzoic acid
CID 176577112
1-(3-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylic acid
CID 16773246
5-(2-methylphenyl)-1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]imidazole-4-carboxylic acid
CID 68663402
1-[4-[3-amino-2-(aminomethyl)phenyl]piperidin-1-yl]ethanone
CID 121326315

Frequently Asked Questions

What is the IUPAC name of 6-(3-amino-2-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid?
The IUPAC name of 6-(3-amino-2-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid (CID 170562199) is 6-(3-amino-2-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid.
What is the SMILES notation for 6-(3-amino-2-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid?
The canonical SMILES for 6-(3-amino-2-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid is Nc1cccc(C2CCc3c(C(=O)O)ncn3C2)c1F.
What is the InChIKey of 6-(3-amino-2-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid?
The InChIKey is HOECRGAAQKLXJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O2/c15-12-9(2-1-3-10(12)16)8-4-5-11-13(14(19)20)17-7-18(11)6-8/h1-3,7-8H,4-6,16H2,(H,19,20).
What are the key properties of 6-(3-amino-2-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid?
6-(3-amino-2-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid has a molecular weight of 275.28 g/mol, XLogP of 2.03, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-amino-2-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid is sourced from PubChem (CID 170562199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).