fluoro 2-(2-aminoethylamino)-6-(3-fluoro-2-methylphenyl)imidazo[1,2-a]pyridine-3-carboxylate

C17H16F2N4O2 — CID 162759433

IUPACfluoro 2-(2-aminoethylamino)-6-(3-fluoro-2-methylphenyl)imidazo[1,2-a]pyridine-3-carboxylate
SMILESCc1c(F)cccc1-c1ccc2nc(NCCN)c(C(=O)OF)n2c1
InChIInChI=1S/C17H16F2N4O2/c1-10-12(3-2-4-13(10)18)11-5-6-14-22-16(21-8-7-20)15(17(24)25-19)23(14)9-11/h2-6,9,21H,7-8,20H2,1H3
InChIKeyZBBBRVSIBBGILJ-UHFFFAOYSA-N
MW346.34 g/mol
LogP2.86
Rot. Bonds5

About fluoro 2-(2-aminoethylamino)-6-(3-fluoro-2-methylphenyl)imidazo[1,2-a]pyridine-3-carboxylate

fluoro 2-(2-aminoethylamino)-6-(3-fluoro-2-methylphenyl)imidazo[1,2-a]pyridine-3-carboxylate (PubChem CID 162759433) has the molecular formula C17H16F2N4O2 and a molecular weight of 346.34 g/mol. Its IUPAC name is fluoro 2-(2-aminoethylamino)-6-(3-fluoro-2-methylphenyl)imidazo[1,2-a]pyridine-3-carboxylate.

Molecular Properties

Compound Namefluoro 2-(2-aminoethylamino)-6-(3-fluoro-2-methylphenyl)imidazo[1,2-a]pyridine-3-carboxylate
PubChem CID162759433
Molecular FormulaC17H16F2N4O2
Molecular Weight346.34 g/mol
Exact Mass346.12
IUPAC Namefluoro 2-(2-aminoethylamino)-6-(3-fluoro-2-methylphenyl)imidazo[1,2-a]pyridine-3-carboxylate
SMILESCc1c(F)cccc1-c1ccc2nc(NCCN)c(C(=O)OF)n2c1
InChIInChI=1S/C17H16F2N4O2/c1-10-12(3-2-4-13(10)18)11-5-6-14-22-16(21-8-7-20)15(17(24)25-19)23(14)9-11/h2-6,9,21H,7-8,20H2,1H3
InChIKeyZBBBRVSIBBGILJ-UHFFFAOYSA-N
XLogP2.86
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.34
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[2-(dimethylamino)ethylamino]-6-(3-fluoro-2-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-[(1S,2S)-2-fluorocyclopropyl]methanone
CID 162759423
acetic acid;N-acetyl-N-[3-acetyl-6-(3-fluoro-2-methylphenyl)imidazo[1,2-a]pyridin-2-yl]acetamide;N-[3-acetyl-6-(3-fluoro-2-methylphenyl)imidazo[1,2-a]pyridin-2-yl]acetamide;1-[2-amino-6-(3-fluoro-2-methylphenyl)imidazo[1,2-a]pyridin-3-yl]ethanone
CID 164967361
6-(3-fluoro-2-methylphenyl)-3-methylimidazo[1,2-a]pyridin-2-amine
CID 162759644
[2-[2-(4-chlorophenyl)-3-methylimidazo[1,2-a]pyridin-6-yl]-6-fluorophenyl]methanol
CID 68640044
fluoromethane;N-[6-(3-fluoro-2-methylphenyl)imidazo[1,2-a]pyridin-2-yl]acetamide;molecular hydrogen
CID 154686437
N-[6-(3-fluoro-2-methylphenyl)imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide
CID 154686082
2-amino-6-[3-fluoro-2-(hydroxymethyl)phenyl]imidazo[1,2-a]pyridine-3-carbaldehyde;cyclopropane
CID 162759639
fluoro 2-amino-6-[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-3-yl]imidazo[1,2-a]pyridine-3-carboxylate
CID 162759458
trans-(1R,2S)-2-fluoro-N-[6-(3-fluoro-2-methylphenyl)imidazo[1,2-a]pyridin-2-yl]cyclopropane-1-carboxamide
CID 155081931
2-fluoro-N-[6-(2-fluoro-6-methylphenyl)-3-methylimidazo[1,2-a]pyridin-2-yl]cyclopropane-1-carboxamide
CID 154686114
1-[4-(3-fluoro-2-methylphenyl)phenyl]propan-1-one
CID 115502807
[2-amino-6-[3-fluoro-2-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-[(1S,2S)-2-fluorocyclopropyl]methanone
CID 164709553

Frequently Asked Questions

What is the IUPAC name of fluoro 2-(2-aminoethylamino)-6-(3-fluoro-2-methylphenyl)imidazo[1,2-a]pyridine-3-carboxylate?
The IUPAC name of fluoro 2-(2-aminoethylamino)-6-(3-fluoro-2-methylphenyl)imidazo[1,2-a]pyridine-3-carboxylate (CID 162759433) is fluoro 2-(2-aminoethylamino)-6-(3-fluoro-2-methylphenyl)imidazo[1,2-a]pyridine-3-carboxylate.
What is the SMILES notation for fluoro 2-(2-aminoethylamino)-6-(3-fluoro-2-methylphenyl)imidazo[1,2-a]pyridine-3-carboxylate?
The canonical SMILES for fluoro 2-(2-aminoethylamino)-6-(3-fluoro-2-methylphenyl)imidazo[1,2-a]pyridine-3-carboxylate is Cc1c(F)cccc1-c1ccc2nc(NCCN)c(C(=O)OF)n2c1.
What is the InChIKey of fluoro 2-(2-aminoethylamino)-6-(3-fluoro-2-methylphenyl)imidazo[1,2-a]pyridine-3-carboxylate?
The InChIKey is ZBBBRVSIBBGILJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N4O2/c1-10-12(3-2-4-13(10)18)11-5-6-14-22-16(21-8-7-20)15(17(24)25-19)23(14)9-11/h2-6,9,21H,7-8,20H2,1H3.
What are the key properties of fluoro 2-(2-aminoethylamino)-6-(3-fluoro-2-methylphenyl)imidazo[1,2-a]pyridine-3-carboxylate?
fluoro 2-(2-aminoethylamino)-6-(3-fluoro-2-methylphenyl)imidazo[1,2-a]pyridine-3-carboxylate has a molecular weight of 346.34 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro 2-(2-aminoethylamino)-6-(3-fluoro-2-methylphenyl)imidazo[1,2-a]pyridine-3-carboxylate is sourced from PubChem (CID 162759433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).