3-[(3S)-1-(1-methylpyrazol-4-yl)sulfonylpiperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine

C15H18N6O2S — CID 124612466

IUPAC3-[(3S)-1-(1-methylpyrazol-4-yl)sulfonylpiperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine
SMILESCn1cc(S(=O)(=O)N2CCC[C@H](c3nnc4ccccn34)C2)cn1
InChIInChI=1S/C15H18N6O2S/c1-19-11-13(9-16-19)24(22,23)20-7-4-5-12(10-20)15-18-17-14-6-2-3-8-21(14)15/h2-3,6,8-9,11-12H,4-5,7,10H2,1H3/t12-/m0/s1
InChIKeyBLOCDSMAOHEEIG-LBPRGKRZSA-N
MW346.42 g/mol
LogP1.03
Rot. Bonds3

About 3-[(3S)-1-(1-methylpyrazol-4-yl)sulfonylpiperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine

3-[(3S)-1-(1-methylpyrazol-4-yl)sulfonylpiperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 124612466) has the molecular formula C15H18N6O2S and a molecular weight of 346.42 g/mol. Its IUPAC name is 3-[(3S)-1-(1-methylpyrazol-4-yl)sulfonylpiperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name3-[(3S)-1-(1-methylpyrazol-4-yl)sulfonylpiperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID124612466
Molecular FormulaC15H18N6O2S
Molecular Weight346.42 g/mol
Exact Mass346.12
IUPAC Name3-[(3S)-1-(1-methylpyrazol-4-yl)sulfonylpiperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine
SMILESCn1cc(S(=O)(=O)N2CCC[C@H](c3nnc4ccccn34)C2)cn1
InChIInChI=1S/C15H18N6O2S/c1-19-11-13(9-16-19)24(22,23)20-7-4-5-12(10-20)15-18-17-14-6-2-3-8-21(14)15/h2-3,6,8-9,11-12H,4-5,7,10H2,1H3/t12-/m0/s1
InChIKeyBLOCDSMAOHEEIG-LBPRGKRZSA-N
XLogP1.03
TPSA85.39 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.42
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[(3S)-1-(1-methylpyrazol-4-yl)sulfonylpiperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 3-[(3S)-1-(1-methylpyrazol-4-yl)sulfonylpiperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine (CID 124612466) is 3-[(3S)-1-(1-methylpyrazol-4-yl)sulfonylpiperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 3-[(3S)-1-(1-methylpyrazol-4-yl)sulfonylpiperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 3-[(3S)-1-(1-methylpyrazol-4-yl)sulfonylpiperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine is Cn1cc(S(=O)(=O)N2CCC[C@H](c3nnc4ccccn34)C2)cn1.
What is the InChIKey of 3-[(3S)-1-(1-methylpyrazol-4-yl)sulfonylpiperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is BLOCDSMAOHEEIG-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H18N6O2S/c1-19-11-13(9-16-19)24(22,23)20-7-4-5-12(10-20)15-18-17-14-6-2-3-8-21(14)15/h2-3,6,8-9,11-12H,4-5,7,10H2,1H3/t12-/m0/s1.
What are the key properties of 3-[(3S)-1-(1-methylpyrazol-4-yl)sulfonylpiperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine?
3-[(3S)-1-(1-methylpyrazol-4-yl)sulfonylpiperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 346.42 g/mol, XLogP of 1.03, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S)-1-(1-methylpyrazol-4-yl)sulfonylpiperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 124612466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).