trans-(1S,2R)-N-(5-bromoimidazo[1,2-a]pyridin-2-yl)-2-fluorocyclopropane-1-carboxamide

C11H9BrFN3O — CID 164936652

IUPACtrans-(1S,2R)-N-(5-bromoimidazo[1,2-a]pyridin-2-yl)-2-fluorocyclopropane-1-carboxamide
SMILESO=C(Nc1cn2c(Br)cccc2n1)[C@@H]1C[C@H]1F
InChIInChI=1S/C11H9BrFN3O/c12-8-2-1-3-10-14-9(5-16(8)10)15-11(17)6-4-7(6)13/h1-3,5-7H,4H2,(H,15,17)/t6-,7-/m1/s1
InChIKeyBUOCXFZKVYZNES-RNFRBKRXSA-N
MW298.12 g/mol
LogP2.39
Rot. Bonds2

About trans-(1S,2R)-N-(5-bromoimidazo[1,2-a]pyridin-2-yl)-2-fluorocyclopropane-1-carboxamide

trans-(1S,2R)-N-(5-bromoimidazo[1,2-a]pyridin-2-yl)-2-fluorocyclopropane-1-carboxamide (PubChem CID 164936652) has the molecular formula C11H9BrFN3O and a molecular weight of 298.12 g/mol. Its IUPAC name is trans-(1S,2R)-N-(5-bromoimidazo[1,2-a]pyridin-2-yl)-2-fluorocyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1S,2R)-N-(5-bromoimidazo[1,2-a]pyridin-2-yl)-2-fluorocyclopropane-1-carboxamide
PubChem CID164936652
Molecular FormulaC11H9BrFN3O
Molecular Weight298.12 g/mol
Exact Mass296.99
IUPAC Nametrans-(1S,2R)-N-(5-bromoimidazo[1,2-a]pyridin-2-yl)-2-fluorocyclopropane-1-carboxamide
SMILESO=C(Nc1cn2c(Br)cccc2n1)[C@@H]1C[C@H]1F
InChIInChI=1S/C11H9BrFN3O/c12-8-2-1-3-10-14-9(5-16(8)10)15-11(17)6-4-7(6)13/h1-3,5-7H,4H2,(H,15,17)/t6-,7-/m1/s1
InChIKeyBUOCXFZKVYZNES-RNFRBKRXSA-N
XLogP2.39
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.12
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-N-[6-(3-fluoro-2-hydroxyphenyl)imidazo[1,2-a]pyridin-2-yl]cyclopropane-1-carboxamide
CID 154686207
cis-(1S,2S)-N-[6-(2,3-dimethylphenyl)imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide
CID 155069438
cis-(1S,2S)-2-fluoro-N-[6-(2-fluoro-6-methylphenyl)imidazo[1,2-a]pyridin-2-yl]cyclopropane-1-carboxamide
CID 155069451
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-[7-fluoro-6-(2-fluoro-6-methylphenyl)imidazo[1,2-a]pyridin-2-yl]cyclopropane-1-carboxamide
CID 154686126
N-[6-(2-acetyl-3-fluorophenyl)imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide
CID 154686017
cis-(1S,2S)-2-fluoro-N-[6-[2-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropane-1-carboxamide
CID 155081988
2-fluoro-N-[6-[2-(hydroxymethyl)-3-methylphenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropane-1-carboxamide
CID 154686332
2-fluoro-N-[6-(2-fluoro-6-methylphenyl)-3-methylimidazo[1,2-a]pyridin-2-yl]cyclopropane-1-carboxamide
CID 154686114
cis-(1S,2S)-N-[6-[2-(acetamidomethyl)-3-fluorophenyl]imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide
CID 154686129
2-fluoro-N-[6-(5-hydroxy-2-methylphenyl)imidazo[1,2-a]pyridin-2-yl]cyclopropane-1-carboxamide
CID 154686201
2-fluoro-N-[6-(5-fluoro-4-methyl-3-pyridinyl)imidazo[1,2-a]pyridin-2-yl]cyclopropane-1-carboxamide
CID 154686390

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2R)-N-(5-bromoimidazo[1,2-a]pyridin-2-yl)-2-fluorocyclopropane-1-carboxamide?
The IUPAC name of trans-(1S,2R)-N-(5-bromoimidazo[1,2-a]pyridin-2-yl)-2-fluorocyclopropane-1-carboxamide (CID 164936652) is trans-(1S,2R)-N-(5-bromoimidazo[1,2-a]pyridin-2-yl)-2-fluorocyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1S,2R)-N-(5-bromoimidazo[1,2-a]pyridin-2-yl)-2-fluorocyclopropane-1-carboxamide?
The canonical SMILES for trans-(1S,2R)-N-(5-bromoimidazo[1,2-a]pyridin-2-yl)-2-fluorocyclopropane-1-carboxamide is O=C(Nc1cn2c(Br)cccc2n1)[C@@H]1C[C@H]1F.
What is the InChIKey of trans-(1S,2R)-N-(5-bromoimidazo[1,2-a]pyridin-2-yl)-2-fluorocyclopropane-1-carboxamide?
The InChIKey is BUOCXFZKVYZNES-RNFRBKRXSA-N. The full InChI is InChI=1S/C11H9BrFN3O/c12-8-2-1-3-10-14-9(5-16(8)10)15-11(17)6-4-7(6)13/h1-3,5-7H,4H2,(H,15,17)/t6-,7-/m1/s1.
What are the key properties of trans-(1S,2R)-N-(5-bromoimidazo[1,2-a]pyridin-2-yl)-2-fluorocyclopropane-1-carboxamide?
trans-(1S,2R)-N-(5-bromoimidazo[1,2-a]pyridin-2-yl)-2-fluorocyclopropane-1-carboxamide has a molecular weight of 298.12 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2R)-N-(5-bromoimidazo[1,2-a]pyridin-2-yl)-2-fluorocyclopropane-1-carboxamide is sourced from PubChem (CID 164936652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).