(1R)-1-(4-fluorophenyl)-2-[methyl-[[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]amino]ethanol

C17H22FN3O — CID 129342919

IUPAC(1R)-1-(4-fluorophenyl)-2-[methyl-[[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]amino]ethanol
SMILESCN(C[C@@H]1CCc2nccn2C1)C[C@H](O)c1ccc(F)cc1
InChIInChI=1S/C17H22FN3O/c1-20(12-16(22)14-3-5-15(18)6-4-14)10-13-2-7-17-19-8-9-21(17)11-13/h3-6,8-9,13,16,22H,2,7,10-12H2,1H3/t13-,16-/m0/s1
InChIKeyVNTJOEHWLFWHQB-BBRMVZONSA-N
MW303.38 g/mol
LogP2.25
Rot. Bonds5

About (1R)-1-(4-fluorophenyl)-2-[methyl-[[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]amino]ethanol

(1R)-1-(4-fluorophenyl)-2-[methyl-[[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]amino]ethanol (PubChem CID 129342919) has the molecular formula C17H22FN3O and a molecular weight of 303.38 g/mol. Its IUPAC name is (1R)-1-(4-fluorophenyl)-2-[methyl-[[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]amino]ethanol.

Molecular Properties

Compound Name(1R)-1-(4-fluorophenyl)-2-[methyl-[[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]amino]ethanol
PubChem CID129342919
Molecular FormulaC17H22FN3O
Molecular Weight303.38 g/mol
Exact Mass303.17
IUPAC Name(1R)-1-(4-fluorophenyl)-2-[methyl-[[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]amino]ethanol
SMILESCN(C[C@@H]1CCc2nccn2C1)C[C@H](O)c1ccc(F)cc1
InChIInChI=1S/C17H22FN3O/c1-20(12-16(22)14-3-5-15(18)6-4-14)10-13-2-7-17-19-8-9-21(17)11-13/h3-6,8-9,13,16,22H,2,7,10-12H2,1H3/t13-,16-/m0/s1
InChIKeyVNTJOEHWLFWHQB-BBRMVZONSA-N
XLogP2.25
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-[methyl-[[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]amino]butan-2-ol
CID 129343684
1-[methyl(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)amino]-3-phenylpropan-2-ol
CID 128968625
[4-[[methyl-[[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]amino]methyl]phenyl]methanol
CID 129343365
2-[(1-benzylpyrrolidin-3-yl)methyl-methylamino]-1-(4-fluorophenyl)ethanol
CID 111490262
(2R)-1-[4-[[[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]-methylamino]methyl]piperidin-1-yl]propan-2-ol
CID 100840896
N-methyl-N-(quinolin-2-ylmethyl)-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)methanamine
CID 128996110
2-(2-fluorophenyl)-N-methyl-N-[[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]acetamide
CID 129336314
N-methyl-2-(4-methylphenyl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)acetamide
CID 129006675
N-[(5-chlorothiadiazol-4-yl)methyl]-N-methyl-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)methanamine
CID 154796220
N-methyl-5-propan-2-yl-N-[[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-1H-pyrazole-3-carboxamide
CID 129334863
2-cyclopropyl-N-methyl-N-[[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]pyrimidin-4-amine
CID 129338507
N,3-dimethyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)thiophene-2-carboxamide
CID 129004758

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-fluorophenyl)-2-[methyl-[[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]amino]ethanol?
The IUPAC name of (1R)-1-(4-fluorophenyl)-2-[methyl-[[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]amino]ethanol (CID 129342919) is (1R)-1-(4-fluorophenyl)-2-[methyl-[[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]amino]ethanol.
What is the SMILES notation for (1R)-1-(4-fluorophenyl)-2-[methyl-[[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]amino]ethanol?
The canonical SMILES for (1R)-1-(4-fluorophenyl)-2-[methyl-[[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]amino]ethanol is CN(C[C@@H]1CCc2nccn2C1)C[C@H](O)c1ccc(F)cc1.
What is the InChIKey of (1R)-1-(4-fluorophenyl)-2-[methyl-[[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]amino]ethanol?
The InChIKey is VNTJOEHWLFWHQB-BBRMVZONSA-N. The full InChI is InChI=1S/C17H22FN3O/c1-20(12-16(22)14-3-5-15(18)6-4-14)10-13-2-7-17-19-8-9-21(17)11-13/h3-6,8-9,13,16,22H,2,7,10-12H2,1H3/t13-,16-/m0/s1.
What are the key properties of (1R)-1-(4-fluorophenyl)-2-[methyl-[[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]amino]ethanol?
(1R)-1-(4-fluorophenyl)-2-[methyl-[[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]amino]ethanol has a molecular weight of 303.38 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-fluorophenyl)-2-[methyl-[[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]amino]ethanol is sourced from PubChem (CID 129342919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).