3-[1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine

C18H27N5O2S — CID 168797925

IUPAC3-[1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
SMILESCc1nc2n(c1C1CCN(S(=O)(=O)c3cnn(C)c3C)CC1)CCCC2
InChIInChI=1S/C18H27N5O2S/c1-13-18(23-9-5-4-6-17(23)20-13)15-7-10-22(11-8-15)26(24,25)16-12-19-21(3)14(16)2/h12,15H,4-11H2,1-3H3
InChIKeyULWZJGCHFVDBII-UHFFFAOYSA-N
MW377.51 g/mol
LogP2.14
Rot. Bonds3

About 3-[1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine

3-[1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine (PubChem CID 168797925) has the molecular formula C18H27N5O2S and a molecular weight of 377.51 g/mol. Its IUPAC name is 3-[1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name3-[1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
PubChem CID168797925
Molecular FormulaC18H27N5O2S
Molecular Weight377.51 g/mol
Exact Mass377.19
IUPAC Name3-[1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
SMILESCc1nc2n(c1C1CCN(S(=O)(=O)c3cnn(C)c3C)CC1)CCCC2
InChIInChI=1S/C18H27N5O2S/c1-13-18(23-9-5-4-6-17(23)20-13)15-7-10-22(11-8-15)26(24,25)16-12-19-21(3)14(16)2/h12,15H,4-11H2,1-3H3
InChIKeyULWZJGCHFVDBII-UHFFFAOYSA-N
XLogP2.14
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.51
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine?
The IUPAC name of 3-[1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine (CID 168797925) is 3-[1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine.
What is the SMILES notation for 3-[1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine?
The canonical SMILES for 3-[1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine is Cc1nc2n(c1C1CCN(S(=O)(=O)c3cnn(C)c3C)CC1)CCCC2.
What is the InChIKey of 3-[1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine?
The InChIKey is ULWZJGCHFVDBII-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O2S/c1-13-18(23-9-5-4-6-17(23)20-13)15-7-10-22(11-8-15)26(24,25)16-12-19-21(3)14(16)2/h12,15H,4-11H2,1-3H3.
What are the key properties of 3-[1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine?
3-[1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine has a molecular weight of 377.51 g/mol, XLogP of 2.14, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine is sourced from PubChem (CID 168797925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).