(2R)-1-[(3S)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]methyl]piperidin-1-yl]-2,3-dihydroxypropan-1-one

C20H22FN5O3 — CID 158807371

IUPAC(2R)-1-[(3S)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]methyl]piperidin-1-yl]-2,3-dihydroxypropan-1-one
SMILESO=C([C@H](O)CO)N1CCC[C@@H](Cc2ccnc(-c3cnc4ccc(F)cn34)n2)C1
InChIInChI=1S/C20H22FN5O3/c21-14-3-4-18-23-9-16(26(18)11-14)19-22-6-5-15(24-19)8-13-2-1-7-25(10-13)20(29)17(28)12-27/h3-6,9,11,13,17,27-28H,1-2,7-8,10,12H2/t13-,17+/m0/s1
InChIKeyIUGAPCOHAIRKSI-SUMWQHHRSA-N
MW399.43 g/mol
LogP1.06
Rot. Bonds5

About (2R)-1-[(3S)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]methyl]piperidin-1-yl]-2,3-dihydroxypropan-1-one

(2R)-1-[(3S)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]methyl]piperidin-1-yl]-2,3-dihydroxypropan-1-one (PubChem CID 158807371) has the molecular formula C20H22FN5O3 and a molecular weight of 399.43 g/mol. Its IUPAC name is (2R)-1-[(3S)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]methyl]piperidin-1-yl]-2,3-dihydroxypropan-1-one.

Molecular Properties

Compound Name(2R)-1-[(3S)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]methyl]piperidin-1-yl]-2,3-dihydroxypropan-1-one
PubChem CID158807371
Molecular FormulaC20H22FN5O3
Molecular Weight399.43 g/mol
Exact Mass399.17
IUPAC Name(2R)-1-[(3S)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]methyl]piperidin-1-yl]-2,3-dihydroxypropan-1-one
SMILESO=C([C@H](O)CO)N1CCC[C@@H](Cc2ccnc(-c3cnc4ccc(F)cn34)n2)C1
InChIInChI=1S/C20H22FN5O3/c21-14-3-4-18-23-9-16(26(18)11-14)19-22-6-5-15(24-19)8-13-2-1-7-25(10-13)20(29)17(28)12-27/h3-6,9,11,13,17,27-28H,1-2,7-8,10,12H2/t13-,17+/m0/s1
InChIKeyIUGAPCOHAIRKSI-SUMWQHHRSA-N
XLogP1.06
TPSA103.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.43
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (2R)-1-[(3S)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]methyl]piperidin-1-yl]-2,3-dihydroxypropan-1-one with MolForge

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Related Compounds

1-[(3S)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]methyl]piperidin-1-yl]-2-[4-(hydroxymethyl)phenyl]ethanone
CID 161395611
4,4,4-trifluoro-1-[(3S)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]methyl]piperidin-1-yl]butan-1-one
CID 162230207
tert-butyl (3S)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-(2-methoxyethoxy)pyrimidin-4-yl]methyl]piperidine-1-carboxylate
CID 161138245
(2S)-1-[6-[[(3S)-1-(2-cyanoacetyl)piperidin-3-yl]methyl]-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]pyrrolidine-2-carboxylic acid
CID 148995676
(2S)-1-[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]pyrrolidine-2-carboxylic acid
CID 67256778
3-[(3S)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-nitropyrimidin-4-yl]methyl]piperidin-1-yl]-3-oxopropanenitrile
CID 161246174
1-[(3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidin-1-yl]-3-phenylbutan-1-one
CID 53260780
1-[(3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 67257420
tert-butyl (3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]oxyamino]piperidine-1-carboxylate
CID 87321784
2-[(3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidin-1-yl]-2-methylpropanoic acid
CID 67240178
3-[(3S)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-methylpyrimidin-4-yl]methyl]pyrrolidin-1-yl]-3-oxopropanenitrile
CID 157197533
ethyl 2-[(3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidin-1-yl]-2-methylpropanoate
CID 86692658

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(3S)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]methyl]piperidin-1-yl]-2,3-dihydroxypropan-1-one?
The IUPAC name of (2R)-1-[(3S)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]methyl]piperidin-1-yl]-2,3-dihydroxypropan-1-one (CID 158807371) is (2R)-1-[(3S)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]methyl]piperidin-1-yl]-2,3-dihydroxypropan-1-one.
What is the SMILES notation for (2R)-1-[(3S)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]methyl]piperidin-1-yl]-2,3-dihydroxypropan-1-one?
The canonical SMILES for (2R)-1-[(3S)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]methyl]piperidin-1-yl]-2,3-dihydroxypropan-1-one is O=C([C@H](O)CO)N1CCC[C@@H](Cc2ccnc(-c3cnc4ccc(F)cn34)n2)C1.
What is the InChIKey of (2R)-1-[(3S)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]methyl]piperidin-1-yl]-2,3-dihydroxypropan-1-one?
The InChIKey is IUGAPCOHAIRKSI-SUMWQHHRSA-N. The full InChI is InChI=1S/C20H22FN5O3/c21-14-3-4-18-23-9-16(26(18)11-14)19-22-6-5-15(24-19)8-13-2-1-7-25(10-13)20(29)17(28)12-27/h3-6,9,11,13,17,27-28H,1-2,7-8,10,12H2/t13-,17+/m0/s1.
What are the key properties of (2R)-1-[(3S)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]methyl]piperidin-1-yl]-2,3-dihydroxypropan-1-one?
(2R)-1-[(3S)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]methyl]piperidin-1-yl]-2,3-dihydroxypropan-1-one has a molecular weight of 399.43 g/mol, XLogP of 1.06, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(3S)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]methyl]piperidin-1-yl]-2,3-dihydroxypropan-1-one is sourced from PubChem (CID 158807371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).