8-[[(1R)-1-(3-fluorophenyl)ethyl]amino]imidazo[1,2-a]pyrazine-2-carboxylic acid

C15H13FN4O2 — CID 167849172

IUPAC8-[[(1R)-1-(3-fluorophenyl)ethyl]amino]imidazo[1,2-a]pyrazine-2-carboxylic acid
SMILESC[C@@H](Nc1nccn2cc(C(=O)O)nc12)c1cccc(F)c1
InChIInChI=1S/C15H13FN4O2/c1-9(10-3-2-4-11(16)7-10)18-13-14-19-12(15(21)22)8-20(14)6-5-17-13/h2-9H,1H3,(H,17,18)(H,21,22)/t9-/m1/s1
InChIKeyKTZYDQUOXJUAGV-SECBINFHSA-N
MW300.29 g/mol
LogP2.74
Rot. Bonds4

About 8-[[(1R)-1-(3-fluorophenyl)ethyl]amino]imidazo[1,2-a]pyrazine-2-carboxylic acid

8-[[(1R)-1-(3-fluorophenyl)ethyl]amino]imidazo[1,2-a]pyrazine-2-carboxylic acid (PubChem CID 167849172) has the molecular formula C15H13FN4O2 and a molecular weight of 300.29 g/mol. Its IUPAC name is 8-[[(1R)-1-(3-fluorophenyl)ethyl]amino]imidazo[1,2-a]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name8-[[(1R)-1-(3-fluorophenyl)ethyl]amino]imidazo[1,2-a]pyrazine-2-carboxylic acid
PubChem CID167849172
Molecular FormulaC15H13FN4O2
Molecular Weight300.29 g/mol
Exact Mass300.10
IUPAC Name8-[[(1R)-1-(3-fluorophenyl)ethyl]amino]imidazo[1,2-a]pyrazine-2-carboxylic acid
SMILESC[C@@H](Nc1nccn2cc(C(=O)O)nc12)c1cccc(F)c1
InChIInChI=1S/C15H13FN4O2/c1-9(10-3-2-4-11(16)7-10)18-13-14-19-12(15(21)22)8-20(14)6-5-17-13/h2-9H,1H3,(H,17,18)(H,21,22)/t9-/m1/s1
InChIKeyKTZYDQUOXJUAGV-SECBINFHSA-N
XLogP2.74
TPSA79.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.29
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(4-methylpiperazin-1-yl)-[8-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]imidazo[1,2-a]pyrazin-2-yl]methanone
CID 155686481
N-[1-(3-fluorophenyl)ethyl]-6-hydrazinylimidazo[1,2-a]pyrazin-8-amine
CID 80901577
1-tert-butyl-3-[1-(3-fluorophenyl)ethylamino]pyrazin-2-one
CID 62940926
3-[1-(3-fluorophenyl)ethylamino]pyridazine-4-carboxylic acid
CID 80517463
3-[1-(3-fluorophenyl)ethylamino]-5,6-dimethylpyridazine-4-carboxylic acid
CID 62711199
2-bromo-6-[1-(3-fluorophenyl)ethylamino]benzoic acid
CID 114887985
5-fluoro-4-N-[1-(3-fluorophenyl)ethyl]pyrimidine-2,4-diamine
CID 80801900
1-cyclohexyl-N-[1-(3-fluorophenyl)ethyl]imidazol-2-amine
CID 106567027
2-chloro-N-[1-(3-fluorophenyl)ethyl]pyridin-3-amine
CID 43690097
5-[[[(1S)-1-(3-fluorophenyl)ethyl]amino]methyl]-1,2-oxazole-3-carboxylic acid
CID 103258761
1-[1-(3-fluorophenyl)ethyl]-3-propan-2-ylurea
CID 47015065
N-[1-(3-fluorophenyl)ethyl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
CID 60677982

Frequently Asked Questions

What is the IUPAC name of 8-[[(1R)-1-(3-fluorophenyl)ethyl]amino]imidazo[1,2-a]pyrazine-2-carboxylic acid?
The IUPAC name of 8-[[(1R)-1-(3-fluorophenyl)ethyl]amino]imidazo[1,2-a]pyrazine-2-carboxylic acid (CID 167849172) is 8-[[(1R)-1-(3-fluorophenyl)ethyl]amino]imidazo[1,2-a]pyrazine-2-carboxylic acid.
What is the SMILES notation for 8-[[(1R)-1-(3-fluorophenyl)ethyl]amino]imidazo[1,2-a]pyrazine-2-carboxylic acid?
The canonical SMILES for 8-[[(1R)-1-(3-fluorophenyl)ethyl]amino]imidazo[1,2-a]pyrazine-2-carboxylic acid is C[C@@H](Nc1nccn2cc(C(=O)O)nc12)c1cccc(F)c1.
What is the InChIKey of 8-[[(1R)-1-(3-fluorophenyl)ethyl]amino]imidazo[1,2-a]pyrazine-2-carboxylic acid?
The InChIKey is KTZYDQUOXJUAGV-SECBINFHSA-N. The full InChI is InChI=1S/C15H13FN4O2/c1-9(10-3-2-4-11(16)7-10)18-13-14-19-12(15(21)22)8-20(14)6-5-17-13/h2-9H,1H3,(H,17,18)(H,21,22)/t9-/m1/s1.
What are the key properties of 8-[[(1R)-1-(3-fluorophenyl)ethyl]amino]imidazo[1,2-a]pyrazine-2-carboxylic acid?
8-[[(1R)-1-(3-fluorophenyl)ethyl]amino]imidazo[1,2-a]pyrazine-2-carboxylic acid has a molecular weight of 300.29 g/mol, XLogP of 2.74, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[(1R)-1-(3-fluorophenyl)ethyl]amino]imidazo[1,2-a]pyrazine-2-carboxylic acid is sourced from PubChem (CID 167849172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).