(3R)-3-(imidazo[1,2-a]pyridin-2-ylmethylamino)-3-phenylpropan-1-ol

C17H19N3O — CID 111467271

IUPAC(3R)-3-(imidazo[1,2-a]pyridin-2-ylmethylamino)-3-phenylpropan-1-ol
SMILESOCC[C@@H](NCc1cn2ccccc2n1)c1ccccc1
InChIInChI=1S/C17H19N3O/c21-11-9-16(14-6-2-1-3-7-14)18-12-15-13-20-10-5-4-8-17(20)19-15/h1-8,10,13,16,18,21H,9,11-12H2/t16-/m1/s1
InChIKeyMGOAGGLPWLLFQK-MRXNPFEDSA-N
MW281.36 g/mol
LogP2.55
Rot. Bonds6

About (3R)-3-(imidazo[1,2-a]pyridin-2-ylmethylamino)-3-phenylpropan-1-ol

(3R)-3-(imidazo[1,2-a]pyridin-2-ylmethylamino)-3-phenylpropan-1-ol (PubChem CID 111467271) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is (3R)-3-(imidazo[1,2-a]pyridin-2-ylmethylamino)-3-phenylpropan-1-ol.

Molecular Properties

Compound Name(3R)-3-(imidazo[1,2-a]pyridin-2-ylmethylamino)-3-phenylpropan-1-ol
PubChem CID111467271
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name(3R)-3-(imidazo[1,2-a]pyridin-2-ylmethylamino)-3-phenylpropan-1-ol
SMILESOCC[C@@H](NCc1cn2ccccc2n1)c1ccccc1
InChIInChI=1S/C17H19N3O/c21-11-9-16(14-6-2-1-3-7-14)18-12-15-13-20-10-5-4-8-17(20)19-15/h1-8,10,13,16,18,21H,9,11-12H2/t16-/m1/s1
InChIKeyMGOAGGLPWLLFQK-MRXNPFEDSA-N
XLogP2.55
TPSA49.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(imidazo[1,2-a]pyridin-2-ylmethylamino)propane-1,3-diol
CID 65313149
2-(imidazo[1,2-a]pyridin-2-ylmethylamino)-3-phenylpropan-1-ol
CID 63261332
N-(imidazo[1,2-a]pyridin-2-ylmethyl)-1-phenylpropan-2-amine
CID 63011096
N-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-methylpentan-3-amine
CID 61469725
(1R)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-1-(4-methylphenyl)ethanamine
CID 81348736
[1-(imidazo[1,2-a]pyridin-2-ylmethylamino)cyclopropyl]methanol
CID 115762997
ethane;imidazo[1,2-a]pyridin-2-ylmethanol
CID 91126513
2-N,6-N-bis(imidazo[1,2-a]pyridin-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 43063902
imidazo[1,2-a]pyridin-2-ylmethyl (3S)-3-benzamido-3-phenylpropanoate
CID 7151780
imidazo[1,2-a]pyridin-2-ylmethyl (3R)-3-benzamido-3-phenylpropanoate
CID 7151779
N-(imidazo[1,2-a]pyridin-2-ylmethyl)-1-methoxy-3-methylbutan-2-amine
CID 65049447
N-(1-hydroxy-4,4-dimethylpentan-3-yl)-2-imidazo[1,2-a]pyridin-2-ylacetamide
CID 103941094

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(imidazo[1,2-a]pyridin-2-ylmethylamino)-3-phenylpropan-1-ol?
The IUPAC name of (3R)-3-(imidazo[1,2-a]pyridin-2-ylmethylamino)-3-phenylpropan-1-ol (CID 111467271) is (3R)-3-(imidazo[1,2-a]pyridin-2-ylmethylamino)-3-phenylpropan-1-ol.
What is the SMILES notation for (3R)-3-(imidazo[1,2-a]pyridin-2-ylmethylamino)-3-phenylpropan-1-ol?
The canonical SMILES for (3R)-3-(imidazo[1,2-a]pyridin-2-ylmethylamino)-3-phenylpropan-1-ol is OCC[C@@H](NCc1cn2ccccc2n1)c1ccccc1.
What is the InChIKey of (3R)-3-(imidazo[1,2-a]pyridin-2-ylmethylamino)-3-phenylpropan-1-ol?
The InChIKey is MGOAGGLPWLLFQK-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H19N3O/c21-11-9-16(14-6-2-1-3-7-14)18-12-15-13-20-10-5-4-8-17(20)19-15/h1-8,10,13,16,18,21H,9,11-12H2/t16-/m1/s1.
What are the key properties of (3R)-3-(imidazo[1,2-a]pyridin-2-ylmethylamino)-3-phenylpropan-1-ol?
(3R)-3-(imidazo[1,2-a]pyridin-2-ylmethylamino)-3-phenylpropan-1-ol has a molecular weight of 281.36 g/mol, XLogP of 2.55, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(imidazo[1,2-a]pyridin-2-ylmethylamino)-3-phenylpropan-1-ol is sourced from PubChem (CID 111467271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).