(2-amino-6-bromoimidazo[1,2-a]pyridin-3-yl)-[(1S,2S)-2-fluorocyclopropyl]methanone

C11H9BrFN3O — CID 162759595

IUPAC(2-amino-6-bromoimidazo[1,2-a]pyridin-3-yl)-[(1S,2S)-2-fluorocyclopropyl]methanone
SMILESNc1nc2ccc(Br)cn2c1C(=O)[C@@H]1C[C@@H]1F
InChIInChI=1S/C11H9BrFN3O/c12-5-1-2-8-15-11(14)9(16(8)4-5)10(17)6-3-7(6)13/h1-2,4,6-7H,3,14H2/t6-,7+/m1/s1
InChIKeyMLOHDFYHFUPTDD-RQJHMYQMSA-N
MW298.12 g/mol
LogP2.22
Rot. Bonds2

About (2-amino-6-bromoimidazo[1,2-a]pyridin-3-yl)-[(1S,2S)-2-fluorocyclopropyl]methanone

(2-amino-6-bromoimidazo[1,2-a]pyridin-3-yl)-[(1S,2S)-2-fluorocyclopropyl]methanone (PubChem CID 162759595) has the molecular formula C11H9BrFN3O and a molecular weight of 298.12 g/mol. Its IUPAC name is (2-amino-6-bromoimidazo[1,2-a]pyridin-3-yl)-[(1S,2S)-2-fluorocyclopropyl]methanone.

Molecular Properties

Compound Name(2-amino-6-bromoimidazo[1,2-a]pyridin-3-yl)-[(1S,2S)-2-fluorocyclopropyl]methanone
PubChem CID162759595
Molecular FormulaC11H9BrFN3O
Molecular Weight298.12 g/mol
Exact Mass296.99
IUPAC Name(2-amino-6-bromoimidazo[1,2-a]pyridin-3-yl)-[(1S,2S)-2-fluorocyclopropyl]methanone
SMILESNc1nc2ccc(Br)cn2c1C(=O)[C@@H]1C[C@@H]1F
InChIInChI=1S/C11H9BrFN3O/c12-5-1-2-8-15-11(14)9(16(8)4-5)10(17)6-3-7(6)13/h1-2,4,6-7H,3,14H2/t6-,7+/m1/s1
InChIKeyMLOHDFYHFUPTDD-RQJHMYQMSA-N
XLogP2.22
TPSA60.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.12
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-amino-6-bromoimidazo[1,2-a]pyridin-3-yl)-[(1S,2S)-2-fluorocyclopropyl]methanone?
The IUPAC name of (2-amino-6-bromoimidazo[1,2-a]pyridin-3-yl)-[(1S,2S)-2-fluorocyclopropyl]methanone (CID 162759595) is (2-amino-6-bromoimidazo[1,2-a]pyridin-3-yl)-[(1S,2S)-2-fluorocyclopropyl]methanone.
What is the SMILES notation for (2-amino-6-bromoimidazo[1,2-a]pyridin-3-yl)-[(1S,2S)-2-fluorocyclopropyl]methanone?
The canonical SMILES for (2-amino-6-bromoimidazo[1,2-a]pyridin-3-yl)-[(1S,2S)-2-fluorocyclopropyl]methanone is Nc1nc2ccc(Br)cn2c1C(=O)[C@@H]1C[C@@H]1F.
What is the InChIKey of (2-amino-6-bromoimidazo[1,2-a]pyridin-3-yl)-[(1S,2S)-2-fluorocyclopropyl]methanone?
The InChIKey is MLOHDFYHFUPTDD-RQJHMYQMSA-N. The full InChI is InChI=1S/C11H9BrFN3O/c12-5-1-2-8-15-11(14)9(16(8)4-5)10(17)6-3-7(6)13/h1-2,4,6-7H,3,14H2/t6-,7+/m1/s1.
What are the key properties of (2-amino-6-bromoimidazo[1,2-a]pyridin-3-yl)-[(1S,2S)-2-fluorocyclopropyl]methanone?
(2-amino-6-bromoimidazo[1,2-a]pyridin-3-yl)-[(1S,2S)-2-fluorocyclopropyl]methanone has a molecular weight of 298.12 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-6-bromoimidazo[1,2-a]pyridin-3-yl)-[(1S,2S)-2-fluorocyclopropyl]methanone is sourced from PubChem (CID 162759595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).