2-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]sulfonyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine

C16H23N5O2S — CID 166205545

IUPAC2-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]sulfonyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
SMILESCn1cc(C2CCN(S(=O)(=O)c3cn4c(n3)CCCC4)CC2)cn1
InChIInChI=1S/C16H23N5O2S/c1-19-11-14(10-17-19)13-5-8-21(9-6-13)24(22,23)16-12-20-7-3-2-4-15(20)18-16/h10-13H,2-9H2,1H3
InChIKeyNIGXYWUYYIZAFK-UHFFFAOYSA-N
MW349.46 g/mol
LogP1.52
Rot. Bonds3

About 2-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]sulfonyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine

2-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]sulfonyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine (PubChem CID 166205545) has the molecular formula C16H23N5O2S and a molecular weight of 349.46 g/mol. Its IUPAC name is 2-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]sulfonyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]sulfonyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
PubChem CID166205545
Molecular FormulaC16H23N5O2S
Molecular Weight349.46 g/mol
Exact Mass349.16
IUPAC Name2-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]sulfonyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
SMILESCn1cc(C2CCN(S(=O)(=O)c3cn4c(n3)CCCC4)CC2)cn1
InChIInChI=1S/C16H23N5O2S/c1-19-11-14(10-17-19)13-5-8-21(9-6-13)24(22,23)16-12-20-7-3-2-4-15(20)18-16/h10-13H,2-9H2,1H3
InChIKeyNIGXYWUYYIZAFK-UHFFFAOYSA-N
XLogP1.52
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]sulfonyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine?
The IUPAC name of 2-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]sulfonyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine (CID 166205545) is 2-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]sulfonyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine.
What is the SMILES notation for 2-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]sulfonyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine?
The canonical SMILES for 2-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]sulfonyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine is Cn1cc(C2CCN(S(=O)(=O)c3cn4c(n3)CCCC4)CC2)cn1.
What is the InChIKey of 2-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]sulfonyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine?
The InChIKey is NIGXYWUYYIZAFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O2S/c1-19-11-14(10-17-19)13-5-8-21(9-6-13)24(22,23)16-12-20-7-3-2-4-15(20)18-16/h10-13H,2-9H2,1H3.
What are the key properties of 2-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]sulfonyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine?
2-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]sulfonyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine has a molecular weight of 349.46 g/mol, XLogP of 1.52, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]sulfonyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine is sourced from PubChem (CID 166205545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).