1,3-dimethyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)pyrazolo[5,4-b]pyridine-5-sulfonamide

C16H20N6O2S — CID 75493835

IUPAC1,3-dimethyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)pyrazolo[5,4-b]pyridine-5-sulfonamide
SMILESCc1nn(C)c2ncc(S(=O)(=O)NCc3cn4c(n3)CCCC4)cc12
InChIInChI=1S/C16H20N6O2S/c1-11-14-7-13(9-17-16(14)21(2)20-11)25(23,24)18-8-12-10-22-6-4-3-5-15(22)19-12/h7,9-10,18H,3-6,8H2,1-2H3
InChIKeyTWCVQHMXJWNXNY-UHFFFAOYSA-N
MW360.44 g/mol
LogP1.29
Rot. Bonds4

About 1,3-dimethyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)pyrazolo[5,4-b]pyridine-5-sulfonamide

1,3-dimethyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)pyrazolo[5,4-b]pyridine-5-sulfonamide (PubChem CID 75493835) has the molecular formula C16H20N6O2S and a molecular weight of 360.44 g/mol. Its IUPAC name is 1,3-dimethyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)pyrazolo[5,4-b]pyridine-5-sulfonamide.

Molecular Properties

Compound Name1,3-dimethyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)pyrazolo[5,4-b]pyridine-5-sulfonamide
PubChem CID75493835
Molecular FormulaC16H20N6O2S
Molecular Weight360.44 g/mol
Exact Mass360.14
IUPAC Name1,3-dimethyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)pyrazolo[5,4-b]pyridine-5-sulfonamide
SMILESCc1nn(C)c2ncc(S(=O)(=O)NCc3cn4c(n3)CCCC4)cc12
InChIInChI=1S/C16H20N6O2S/c1-11-14-7-13(9-17-16(14)21(2)20-11)25(23,24)18-8-12-10-22-6-4-3-5-15(22)19-12/h7,9-10,18H,3-6,8H2,1-2H3
InChIKeyTWCVQHMXJWNXNY-UHFFFAOYSA-N
XLogP1.29
TPSA94.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)pyrazolo[5,4-b]pyridine-5-sulfonamide?
The IUPAC name of 1,3-dimethyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)pyrazolo[5,4-b]pyridine-5-sulfonamide (CID 75493835) is 1,3-dimethyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)pyrazolo[5,4-b]pyridine-5-sulfonamide.
What is the SMILES notation for 1,3-dimethyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)pyrazolo[5,4-b]pyridine-5-sulfonamide?
The canonical SMILES for 1,3-dimethyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)pyrazolo[5,4-b]pyridine-5-sulfonamide is Cc1nn(C)c2ncc(S(=O)(=O)NCc3cn4c(n3)CCCC4)cc12.
What is the InChIKey of 1,3-dimethyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)pyrazolo[5,4-b]pyridine-5-sulfonamide?
The InChIKey is TWCVQHMXJWNXNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O2S/c1-11-14-7-13(9-17-16(14)21(2)20-11)25(23,24)18-8-12-10-22-6-4-3-5-15(22)19-12/h7,9-10,18H,3-6,8H2,1-2H3.
What are the key properties of 1,3-dimethyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)pyrazolo[5,4-b]pyridine-5-sulfonamide?
1,3-dimethyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)pyrazolo[5,4-b]pyridine-5-sulfonamide has a molecular weight of 360.44 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)pyrazolo[5,4-b]pyridine-5-sulfonamide is sourced from PubChem (CID 75493835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).