(3S,4S)-4-fluoro-1-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]pyrrolidin-3-ol

C13H16FN3O — CID 164639923

IUPAC(3S,4S)-4-fluoro-1-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]pyrrolidin-3-ol
SMILESCc1cccn2cc(CN3C[C@H](O)[C@@H](F)C3)nc12
InChIInChI=1S/C13H16FN3O/c1-9-3-2-4-17-6-10(15-13(9)17)5-16-7-11(14)12(18)8-16/h2-4,6,11-12,18H,5,7-8H2,1H3/t11-,12-/m0/s1
InChIKeyXEDGJHFBMDTKQU-RYUDHWBXSA-N
MW249.29 g/mol
LogP1.16
Rot. Bonds2

About (3S,4S)-4-fluoro-1-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]pyrrolidin-3-ol

(3S,4S)-4-fluoro-1-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]pyrrolidin-3-ol (PubChem CID 164639923) has the molecular formula C13H16FN3O and a molecular weight of 249.29 g/mol. Its IUPAC name is (3S,4S)-4-fluoro-1-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3S,4S)-4-fluoro-1-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]pyrrolidin-3-ol
PubChem CID164639923
Molecular FormulaC13H16FN3O
Molecular Weight249.29 g/mol
Exact Mass249.13
IUPAC Name(3S,4S)-4-fluoro-1-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]pyrrolidin-3-ol
SMILESCc1cccn2cc(CN3C[C@H](O)[C@@H](F)C3)nc12
InChIInChI=1S/C13H16FN3O/c1-9-3-2-4-17-6-10(15-13(9)17)5-16-7-11(14)12(18)8-16/h2-4,6,11-12,18H,5,7-8H2,1H3/t11-,12-/m0/s1
InChIKeyXEDGJHFBMDTKQU-RYUDHWBXSA-N
XLogP1.16
TPSA40.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-1-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-3-ol
CID 103897985
8-methyl-2-(pyrrolidin-1-ylmethyl)imidazo[1,2-a]pyridine
CID 4702012
2-[(2,6-dimethylpiperazin-1-yl)methyl]-8-methylimidazo[1,2-a]pyridine
CID 63908866
3-ethyl-1-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]pyrrolidine-3-carboxylic acid
CID 63148611
(8-methylimidazo[1,2-a]pyridin-2-yl)methanamine;dihydrochloride
CID 50988319
[5-methyl-4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]morpholin-2-yl]methanol
CID 81213430
[3-methyl-1-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]pyrrolidin-2-yl]methanol
CID 102788132
N,N-dimethyl-1-(8-methylimidazo[1,2-a]pyridin-2-yl)methanamine
CID 70660652
(2S)-4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-2-[(4-methylpyrazol-1-yl)methyl]morpholine
CID 95290733
N'-hydroxy-2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethanimidamide
CID 83881906
8-methyl-2-[(1-methylpiperidin-4-yl)methyl]imidazo[1,2-a]pyridine
CID 117136212
8-methyl-2-(thiolan-2-ylmethyl)imidazo[1,2-a]pyridine
CID 117136718

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-fluoro-1-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]pyrrolidin-3-ol?
The IUPAC name of (3S,4S)-4-fluoro-1-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]pyrrolidin-3-ol (CID 164639923) is (3S,4S)-4-fluoro-1-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]pyrrolidin-3-ol.
What is the SMILES notation for (3S,4S)-4-fluoro-1-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]pyrrolidin-3-ol?
The canonical SMILES for (3S,4S)-4-fluoro-1-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]pyrrolidin-3-ol is Cc1cccn2cc(CN3C[C@H](O)[C@@H](F)C3)nc12.
What is the InChIKey of (3S,4S)-4-fluoro-1-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]pyrrolidin-3-ol?
The InChIKey is XEDGJHFBMDTKQU-RYUDHWBXSA-N. The full InChI is InChI=1S/C13H16FN3O/c1-9-3-2-4-17-6-10(15-13(9)17)5-16-7-11(14)12(18)8-16/h2-4,6,11-12,18H,5,7-8H2,1H3/t11-,12-/m0/s1.
What are the key properties of (3S,4S)-4-fluoro-1-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]pyrrolidin-3-ol?
(3S,4S)-4-fluoro-1-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]pyrrolidin-3-ol has a molecular weight of 249.29 g/mol, XLogP of 1.16, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-fluoro-1-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]pyrrolidin-3-ol is sourced from PubChem (CID 164639923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).