2-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)pyrazole-3-sulfonamide

C12H17N5O2S — CID 128995357

IUPAC2-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)pyrazole-3-sulfonamide
SMILESCn1nccc1S(=O)(=O)NCc1cn2c(n1)CCCC2
InChIInChI=1S/C12H17N5O2S/c1-16-12(5-6-13-16)20(18,19)14-8-10-9-17-7-3-2-4-11(17)15-10/h5-6,9,14H,2-4,7-8H2,1H3
InChIKeyAUNLJORAKMHZKE-UHFFFAOYSA-N
MW295.37 g/mol
LogP0.43
Rot. Bonds4

About 2-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)pyrazole-3-sulfonamide

2-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)pyrazole-3-sulfonamide (PubChem CID 128995357) has the molecular formula C12H17N5O2S and a molecular weight of 295.37 g/mol. Its IUPAC name is 2-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)pyrazole-3-sulfonamide.

Molecular Properties

Compound Name2-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)pyrazole-3-sulfonamide
PubChem CID128995357
Molecular FormulaC12H17N5O2S
Molecular Weight295.37 g/mol
Exact Mass295.11
IUPAC Name2-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)pyrazole-3-sulfonamide
SMILESCn1nccc1S(=O)(=O)NCc1cn2c(n1)CCCC2
InChIInChI=1S/C12H17N5O2S/c1-16-12(5-6-13-16)20(18,19)14-8-10-9-17-7-3-2-4-11(17)15-10/h5-6,9,14H,2-4,7-8H2,1H3
InChIKeyAUNLJORAKMHZKE-UHFFFAOYSA-N
XLogP0.43
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.37
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)pyrazole-3-sulfonamide?
The IUPAC name of 2-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)pyrazole-3-sulfonamide (CID 128995357) is 2-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)pyrazole-3-sulfonamide.
What is the SMILES notation for 2-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)pyrazole-3-sulfonamide?
The canonical SMILES for 2-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)pyrazole-3-sulfonamide is Cn1nccc1S(=O)(=O)NCc1cn2c(n1)CCCC2.
What is the InChIKey of 2-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)pyrazole-3-sulfonamide?
The InChIKey is AUNLJORAKMHZKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2S/c1-16-12(5-6-13-16)20(18,19)14-8-10-9-17-7-3-2-4-11(17)15-10/h5-6,9,14H,2-4,7-8H2,1H3.
What are the key properties of 2-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)pyrazole-3-sulfonamide?
2-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)pyrazole-3-sulfonamide has a molecular weight of 295.37 g/mol, XLogP of 0.43, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)pyrazole-3-sulfonamide is sourced from PubChem (CID 128995357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).