3-[6-[(3R)-1-methylsulfonylpiperidin-3-yl]-3-pyridinyl]imidazo[1,2-a]pyrimidine

C17H19N5O2S — CID 125021786

IUPAC3-[6-[(3R)-1-methylsulfonylpiperidin-3-yl]-3-pyridinyl]imidazo[1,2-a]pyrimidine
SMILESCS(=O)(=O)N1CCC[C@@H](c2ccc(-c3cnc4ncccn34)cn2)C1
InChIInChI=1S/C17H19N5O2S/c1-25(23,24)21-8-2-4-14(12-21)15-6-5-13(10-19-15)16-11-20-17-18-7-3-9-22(16)17/h3,5-7,9-11,14H,2,4,8,12H2,1H3/t14-/m1/s1
InChIKeyYMIXEHMWPFDHHZ-CQSZACIVSA-N
MW357.44 g/mol
LogP1.93
Rot. Bonds3

About 3-[6-[(3R)-1-methylsulfonylpiperidin-3-yl]-3-pyridinyl]imidazo[1,2-a]pyrimidine

3-[6-[(3R)-1-methylsulfonylpiperidin-3-yl]-3-pyridinyl]imidazo[1,2-a]pyrimidine (PubChem CID 125021786) has the molecular formula C17H19N5O2S and a molecular weight of 357.44 g/mol. Its IUPAC name is 3-[6-[(3R)-1-methylsulfonylpiperidin-3-yl]-3-pyridinyl]imidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name3-[6-[(3R)-1-methylsulfonylpiperidin-3-yl]-3-pyridinyl]imidazo[1,2-a]pyrimidine
PubChem CID125021786
Molecular FormulaC17H19N5O2S
Molecular Weight357.44 g/mol
Exact Mass357.13
IUPAC Name3-[6-[(3R)-1-methylsulfonylpiperidin-3-yl]-3-pyridinyl]imidazo[1,2-a]pyrimidine
SMILESCS(=O)(=O)N1CCC[C@@H](c2ccc(-c3cnc4ncccn34)cn2)C1
InChIInChI=1S/C17H19N5O2S/c1-25(23,24)21-8-2-4-14(12-21)15-6-5-13(10-19-15)16-11-20-17-18-7-3-9-22(16)17/h3,5-7,9-11,14H,2,4,8,12H2,1H3/t14-/m1/s1
InChIKeyYMIXEHMWPFDHHZ-CQSZACIVSA-N
XLogP1.93
TPSA80.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[6-(1-methylsulfonylpiperidin-3-yl)pyrazin-2-yl]imidazo[1,2-a]pyrimidine
CID 110096967
2-[6-[(3S)-1-methylsulfonylpiperidin-3-yl]-3-pyridinyl]-1,3-thiazole
CID 124982395
4,5-dimethyl-2-[6-[(3S)-1-methylsulfonylpiperidin-3-yl]-3-pyridinyl]-1,3-thiazole
CID 124998697
5-benzyl-2-(1-methylsulfonylpiperidin-3-yl)pyridine
CID 110264018
2-(1-methylsulfonylpiperidin-3-yl)-5-pyridin-3-ylpyrazine
CID 110257451
2-(4-fluorophenyl)-6-[(3R)-1-methylsulfonylpiperidin-3-yl]pyridine
CID 95817962
2-bromo-5-(1-methylsulfonylpiperidin-3-yl)pyrazine
CID 110082276
6-(1-methylsulfonylpiperidin-3-yl)-N-pyridin-2-ylpyrazin-2-amine
CID 110252903
5-(1-methylsulfonylpiperidin-3-yl)imidazo[1,2-a]pyridine
CID 110100064
2-(3-fluorophenyl)-6-(1-methylsulfonylpiperidin-3-yl)pyridine
CID 110249421
N-cyclopropyl-6-[(3S)-1-methylsulfonylpiperidin-3-yl]-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 92621927
2-methyl-3-[(3S)-1-methylsulfonylpiperidin-3-yl]pyrazine
CID 95817357

Frequently Asked Questions

What is the IUPAC name of 3-[6-[(3R)-1-methylsulfonylpiperidin-3-yl]-3-pyridinyl]imidazo[1,2-a]pyrimidine?
The IUPAC name of 3-[6-[(3R)-1-methylsulfonylpiperidin-3-yl]-3-pyridinyl]imidazo[1,2-a]pyrimidine (CID 125021786) is 3-[6-[(3R)-1-methylsulfonylpiperidin-3-yl]-3-pyridinyl]imidazo[1,2-a]pyrimidine.
What is the SMILES notation for 3-[6-[(3R)-1-methylsulfonylpiperidin-3-yl]-3-pyridinyl]imidazo[1,2-a]pyrimidine?
The canonical SMILES for 3-[6-[(3R)-1-methylsulfonylpiperidin-3-yl]-3-pyridinyl]imidazo[1,2-a]pyrimidine is CS(=O)(=O)N1CCC[C@@H](c2ccc(-c3cnc4ncccn34)cn2)C1.
What is the InChIKey of 3-[6-[(3R)-1-methylsulfonylpiperidin-3-yl]-3-pyridinyl]imidazo[1,2-a]pyrimidine?
The InChIKey is YMIXEHMWPFDHHZ-CQSZACIVSA-N. The full InChI is InChI=1S/C17H19N5O2S/c1-25(23,24)21-8-2-4-14(12-21)15-6-5-13(10-19-15)16-11-20-17-18-7-3-9-22(16)17/h3,5-7,9-11,14H,2,4,8,12H2,1H3/t14-/m1/s1.
What are the key properties of 3-[6-[(3R)-1-methylsulfonylpiperidin-3-yl]-3-pyridinyl]imidazo[1,2-a]pyrimidine?
3-[6-[(3R)-1-methylsulfonylpiperidin-3-yl]-3-pyridinyl]imidazo[1,2-a]pyrimidine has a molecular weight of 357.44 g/mol, XLogP of 1.93, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[(3R)-1-methylsulfonylpiperidin-3-yl]-3-pyridinyl]imidazo[1,2-a]pyrimidine is sourced from PubChem (CID 125021786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).