[(2S,4S)-1-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-4-fluoropyrrolidin-2-yl]methanol

C13H15ClFN3O — CID 128983351

IUPAC[(2S,4S)-1-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-4-fluoropyrrolidin-2-yl]methanol
SMILESOC[C@@H]1C[C@H](F)CN1Cc1cn2cc(Cl)ccc2n1
InChIInChI=1S/C13H15ClFN3O/c14-9-1-2-13-16-11(7-18(13)4-9)6-17-5-10(15)3-12(17)8-19/h1-2,4,7,10,12,19H,3,5-6,8H2/t10-,12-/m0/s1
InChIKeySLBYTYQHWYPGTN-JQWIXIFHSA-N
MW283.73 g/mol
LogP1.89
Rot. Bonds3

About [(2S,4S)-1-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-4-fluoropyrrolidin-2-yl]methanol

[(2S,4S)-1-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-4-fluoropyrrolidin-2-yl]methanol (PubChem CID 128983351) has the molecular formula C13H15ClFN3O and a molecular weight of 283.73 g/mol. Its IUPAC name is [(2S,4S)-1-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-4-fluoropyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S,4S)-1-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-4-fluoropyrrolidin-2-yl]methanol
PubChem CID128983351
Molecular FormulaC13H15ClFN3O
Molecular Weight283.73 g/mol
Exact Mass283.09
IUPAC Name[(2S,4S)-1-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-4-fluoropyrrolidin-2-yl]methanol
SMILESOC[C@@H]1C[C@H](F)CN1Cc1cn2cc(Cl)ccc2n1
InChIInChI=1S/C13H15ClFN3O/c14-9-1-2-13-16-11(7-18(13)4-9)6-17-5-10(15)3-12(17)8-19/h1-2,4,7,10,12,19H,3,5-6,8H2/t10-,12-/m0/s1
InChIKeySLBYTYQHWYPGTN-JQWIXIFHSA-N
XLogP1.89
TPSA40.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.73
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(2S,4S)-1-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-4-fluoropyrrolidin-2-yl]methanol?
The IUPAC name of [(2S,4S)-1-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-4-fluoropyrrolidin-2-yl]methanol (CID 128983351) is [(2S,4S)-1-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-4-fluoropyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S,4S)-1-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-4-fluoropyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S,4S)-1-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-4-fluoropyrrolidin-2-yl]methanol is OC[C@@H]1C[C@H](F)CN1Cc1cn2cc(Cl)ccc2n1.
What is the InChIKey of [(2S,4S)-1-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-4-fluoropyrrolidin-2-yl]methanol?
The InChIKey is SLBYTYQHWYPGTN-JQWIXIFHSA-N. The full InChI is InChI=1S/C13H15ClFN3O/c14-9-1-2-13-16-11(7-18(13)4-9)6-17-5-10(15)3-12(17)8-19/h1-2,4,7,10,12,19H,3,5-6,8H2/t10-,12-/m0/s1.
What are the key properties of [(2S,4S)-1-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-4-fluoropyrrolidin-2-yl]methanol?
[(2S,4S)-1-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-4-fluoropyrrolidin-2-yl]methanol has a molecular weight of 283.73 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4S)-1-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-4-fluoropyrrolidin-2-yl]methanol is sourced from PubChem (CID 128983351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).