(6-bromo-3-fluoroimidazo[1,2-a]pyridin-2-yl)-[(3R,4S)-3,4-difluoropyrrolidin-1-yl]methanone

C12H9BrF3N3O — CID 136585374

IUPAC(6-bromo-3-fluoroimidazo[1,2-a]pyridin-2-yl)-[(3R,4S)-3,4-difluoropyrrolidin-1-yl]methanone
SMILESO=C(c1nc2ccc(Br)cn2c1F)N1C[C@@H](F)[C@@H](F)C1
InChIInChI=1S/C12H9BrF3N3O/c13-6-1-2-9-17-10(11(16)19(9)3-6)12(20)18-4-7(14)8(15)5-18/h1-3,7-8H,4-5H2/t7-,8+
InChIKeyNFTKRADRGVMFHY-OCAPTIKFSA-N
MW348.12 g/mol
LogP2.37
Rot. Bonds1

About (6-bromo-3-fluoroimidazo[1,2-a]pyridin-2-yl)-[(3R,4S)-3,4-difluoropyrrolidin-1-yl]methanone

(6-bromo-3-fluoroimidazo[1,2-a]pyridin-2-yl)-[(3R,4S)-3,4-difluoropyrrolidin-1-yl]methanone (PubChem CID 136585374) has the molecular formula C12H9BrF3N3O and a molecular weight of 348.12 g/mol. Its IUPAC name is (6-bromo-3-fluoroimidazo[1,2-a]pyridin-2-yl)-[(3R,4S)-3,4-difluoropyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(6-bromo-3-fluoroimidazo[1,2-a]pyridin-2-yl)-[(3R,4S)-3,4-difluoropyrrolidin-1-yl]methanone
PubChem CID136585374
Molecular FormulaC12H9BrF3N3O
Molecular Weight348.12 g/mol
Exact Mass346.99
IUPAC Name(6-bromo-3-fluoroimidazo[1,2-a]pyridin-2-yl)-[(3R,4S)-3,4-difluoropyrrolidin-1-yl]methanone
SMILESO=C(c1nc2ccc(Br)cn2c1F)N1C[C@@H](F)[C@@H](F)C1
InChIInChI=1S/C12H9BrF3N3O/c13-6-1-2-9-17-10(11(16)19(9)3-6)12(20)18-4-7(14)8(15)5-18/h1-3,7-8H,4-5H2/t7-,8+
InChIKeyNFTKRADRGVMFHY-OCAPTIKFSA-N
XLogP2.37
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.12
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 126438159
(3-fluoro-6-methylimidazo[1,2-a]pyridin-2-yl)-[(1R,5R)-6-(3-methylbut-2-enyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]methanone
CID 70727283
(6-chloro-3-fluoroimidazo[1,2-a]pyridin-2-yl)-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone
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(6-chloro-3-fluoroimidazo[1,2-a]pyridin-2-yl)-[(1R,5R)-6-(2-methoxyethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]methanone
CID 72932163
(2-amino-6-bromoimidazo[1,2-a]pyridin-3-yl)-[(1S,2S)-2-fluorocyclopropyl]methanone
CID 162759595
(3-fluoro-6-methylimidazo[1,2-a]pyridin-2-yl)-[(3S,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]methanone
CID 135104908
(3-ethyl-4-propan-2-ylpiperazin-1-yl)-(3-fluoro-6-methylimidazo[1,2-a]pyridin-2-yl)methanone
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N-[1-(3-fluoro-6-methylimidazo[1,2-a]pyridine-2-carbonyl)piperidin-4-yl]methanesulfonamide
CID 72926714
7-bromo-3-(3-hydroxyazetidine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one
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CID 77087302

Frequently Asked Questions

What is the IUPAC name of (6-bromo-3-fluoroimidazo[1,2-a]pyridin-2-yl)-[(3R,4S)-3,4-difluoropyrrolidin-1-yl]methanone?
The IUPAC name of (6-bromo-3-fluoroimidazo[1,2-a]pyridin-2-yl)-[(3R,4S)-3,4-difluoropyrrolidin-1-yl]methanone (CID 136585374) is (6-bromo-3-fluoroimidazo[1,2-a]pyridin-2-yl)-[(3R,4S)-3,4-difluoropyrrolidin-1-yl]methanone.
What is the SMILES notation for (6-bromo-3-fluoroimidazo[1,2-a]pyridin-2-yl)-[(3R,4S)-3,4-difluoropyrrolidin-1-yl]methanone?
The canonical SMILES for (6-bromo-3-fluoroimidazo[1,2-a]pyridin-2-yl)-[(3R,4S)-3,4-difluoropyrrolidin-1-yl]methanone is O=C(c1nc2ccc(Br)cn2c1F)N1C[C@@H](F)[C@@H](F)C1.
What is the InChIKey of (6-bromo-3-fluoroimidazo[1,2-a]pyridin-2-yl)-[(3R,4S)-3,4-difluoropyrrolidin-1-yl]methanone?
The InChIKey is NFTKRADRGVMFHY-OCAPTIKFSA-N. The full InChI is InChI=1S/C12H9BrF3N3O/c13-6-1-2-9-17-10(11(16)19(9)3-6)12(20)18-4-7(14)8(15)5-18/h1-3,7-8H,4-5H2/t7-,8+.
What are the key properties of (6-bromo-3-fluoroimidazo[1,2-a]pyridin-2-yl)-[(3R,4S)-3,4-difluoropyrrolidin-1-yl]methanone?
(6-bromo-3-fluoroimidazo[1,2-a]pyridin-2-yl)-[(3R,4S)-3,4-difluoropyrrolidin-1-yl]methanone has a molecular weight of 348.12 g/mol, XLogP of 2.37, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromo-3-fluoroimidazo[1,2-a]pyridin-2-yl)-[(3R,4S)-3,4-difluoropyrrolidin-1-yl]methanone is sourced from PubChem (CID 136585374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).