2-methyl-3-[[(3R)-3-(methylsulfonylmethyl)piperidin-1-yl]methyl]imidazo[1,2-a]pyridine

C16H23N3O2S — CID 99940385

IUPAC2-methyl-3-[[(3R)-3-(methylsulfonylmethyl)piperidin-1-yl]methyl]imidazo[1,2-a]pyridine
SMILESCc1nc2ccccn2c1CN1CCC[C@@H](CS(C)(=O)=O)C1
InChIInChI=1S/C16H23N3O2S/c1-13-15(19-9-4-3-7-16(19)17-13)11-18-8-5-6-14(10-18)12-22(2,20)21/h3-4,7,9,14H,5-6,8,10-12H2,1-2H3/t14-/m1/s1
InChIKeyGFCRFLDPPPEZAJ-CQSZACIVSA-N
MW321.45 g/mol
LogP1.90
Rot. Bonds4

About 2-methyl-3-[[(3R)-3-(methylsulfonylmethyl)piperidin-1-yl]methyl]imidazo[1,2-a]pyridine

2-methyl-3-[[(3R)-3-(methylsulfonylmethyl)piperidin-1-yl]methyl]imidazo[1,2-a]pyridine (PubChem CID 99940385) has the molecular formula C16H23N3O2S and a molecular weight of 321.45 g/mol. Its IUPAC name is 2-methyl-3-[[(3R)-3-(methylsulfonylmethyl)piperidin-1-yl]methyl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-methyl-3-[[(3R)-3-(methylsulfonylmethyl)piperidin-1-yl]methyl]imidazo[1,2-a]pyridine
PubChem CID99940385
Molecular FormulaC16H23N3O2S
Molecular Weight321.45 g/mol
Exact Mass321.15
IUPAC Name2-methyl-3-[[(3R)-3-(methylsulfonylmethyl)piperidin-1-yl]methyl]imidazo[1,2-a]pyridine
SMILESCc1nc2ccccn2c1CN1CCC[C@@H](CS(C)(=O)=O)C1
InChIInChI=1S/C16H23N3O2S/c1-13-15(19-9-4-3-7-16(19)17-13)11-18-8-5-6-14(10-18)12-22(2,20)21/h3-4,7,9,14H,5-6,8,10-12H2,1-2H3/t14-/m1/s1
InChIKeyGFCRFLDPPPEZAJ-CQSZACIVSA-N
XLogP1.90
TPSA54.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.45
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-methyl-3-[[(3R)-3-(methylsulfonylmethyl)piperidin-1-yl]methyl]imidazo[1,2-a]pyridine with MolForge

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Related Compounds

1-methyl-2-[1-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]piperidin-3-yl]benzimidazole
CID 46976754
1-methyl-2-[(3R)-1-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]piperidin-3-yl]benzimidazole
CID 92626009
2-[[3-(methylsulfonylmethyl)piperidin-1-yl]methyl]quinoxaline
CID 167746759
2-methyl-3-[[4-[(1R)-1-pyrrolidin-1-ylethyl]piperidin-1-yl]methyl]imidazo[1,2-a]pyridine
CID 95862606
5-[[(3S)-3-(methylsulfonylmethyl)piperidin-1-yl]methyl]-3-phenyl-1,2-oxazole
CID 99929505
N-benzyl-N-methyl-5-[(3R)-1-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]piperidin-3-yl]-1H-pyrazole-4-carboxamide
CID 124955098
methyl 2-[4-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]morpholin-2-yl]acetate
CID 84587348
2-[2-[[(3S)-3-(methylsulfonylmethyl)piperidin-1-yl]methyl]phenoxy]acetic acid
CID 99930028
2-methyl-3-[(3-methylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-6-amine
CID 82058431
3-(chloromethyl)-2-(3-ethylpiperidin-1-yl)imidazo[1,2-a]pyridine
CID 43584737
2-methyl-3-[[3-(2-methylphenoxy)azetidin-1-yl]methyl]imidazo[1,2-a]pyridine
CID 56885164
N-benzyl-3-[[(3R)-3-hydroxypiperidin-1-yl]methyl]-N-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 25286717

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[[(3R)-3-(methylsulfonylmethyl)piperidin-1-yl]methyl]imidazo[1,2-a]pyridine?
The IUPAC name of 2-methyl-3-[[(3R)-3-(methylsulfonylmethyl)piperidin-1-yl]methyl]imidazo[1,2-a]pyridine (CID 99940385) is 2-methyl-3-[[(3R)-3-(methylsulfonylmethyl)piperidin-1-yl]methyl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 2-methyl-3-[[(3R)-3-(methylsulfonylmethyl)piperidin-1-yl]methyl]imidazo[1,2-a]pyridine?
The canonical SMILES for 2-methyl-3-[[(3R)-3-(methylsulfonylmethyl)piperidin-1-yl]methyl]imidazo[1,2-a]pyridine is Cc1nc2ccccn2c1CN1CCC[C@@H](CS(C)(=O)=O)C1.
What is the InChIKey of 2-methyl-3-[[(3R)-3-(methylsulfonylmethyl)piperidin-1-yl]methyl]imidazo[1,2-a]pyridine?
The InChIKey is GFCRFLDPPPEZAJ-CQSZACIVSA-N. The full InChI is InChI=1S/C16H23N3O2S/c1-13-15(19-9-4-3-7-16(19)17-13)11-18-8-5-6-14(10-18)12-22(2,20)21/h3-4,7,9,14H,5-6,8,10-12H2,1-2H3/t14-/m1/s1.
What are the key properties of 2-methyl-3-[[(3R)-3-(methylsulfonylmethyl)piperidin-1-yl]methyl]imidazo[1,2-a]pyridine?
2-methyl-3-[[(3R)-3-(methylsulfonylmethyl)piperidin-1-yl]methyl]imidazo[1,2-a]pyridine has a molecular weight of 321.45 g/mol, XLogP of 1.90, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[[(3R)-3-(methylsulfonylmethyl)piperidin-1-yl]methyl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 99940385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).