N-cyclopropyl-N-[(3,4-dimethylphenyl)methyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-sulfonamide

C20H24N4O2S — CID 126780884

IUPACN-cyclopropyl-N-[(3,4-dimethylphenyl)methyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-sulfonamide
SMILESCc1ccc(CN(C2CC2)S(=O)(=O)c2cnc3c(c2)c(C)nn3C)cc1C
InChIInChI=1S/C20H24N4O2S/c1-13-5-6-16(9-14(13)2)12-24(17-7-8-17)27(25,26)18-10-19-15(3)22-23(4)20(19)21-11-18/h5-6,9-11,17H,7-8,12H2,1-4H3
InChIKeyHIMSNHHBJLLXPI-UHFFFAOYSA-N
MW384.51 g/mol
LogP3.25
Rot. Bonds5

About N-cyclopropyl-N-[(3,4-dimethylphenyl)methyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-sulfonamide

N-cyclopropyl-N-[(3,4-dimethylphenyl)methyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-sulfonamide (PubChem CID 126780884) has the molecular formula C20H24N4O2S and a molecular weight of 384.51 g/mol. Its IUPAC name is N-cyclopropyl-N-[(3,4-dimethylphenyl)methyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-sulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[(3,4-dimethylphenyl)methyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-sulfonamide
PubChem CID126780884
Molecular FormulaC20H24N4O2S
Molecular Weight384.51 g/mol
Exact Mass384.16
IUPAC NameN-cyclopropyl-N-[(3,4-dimethylphenyl)methyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-sulfonamide
SMILESCc1ccc(CN(C2CC2)S(=O)(=O)c2cnc3c(c2)c(C)nn3C)cc1C
InChIInChI=1S/C20H24N4O2S/c1-13-5-6-16(9-14(13)2)12-24(17-7-8-17)27(25,26)18-10-19-15(3)22-23(4)20(19)21-11-18/h5-6,9-11,17H,7-8,12H2,1-4H3
InChIKeyHIMSNHHBJLLXPI-UHFFFAOYSA-N
XLogP3.25
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.51
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[(3,4-dimethylphenyl)methyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-sulfonamide?
The IUPAC name of N-cyclopropyl-N-[(3,4-dimethylphenyl)methyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-sulfonamide (CID 126780884) is N-cyclopropyl-N-[(3,4-dimethylphenyl)methyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-sulfonamide.
What is the SMILES notation for N-cyclopropyl-N-[(3,4-dimethylphenyl)methyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-sulfonamide?
The canonical SMILES for N-cyclopropyl-N-[(3,4-dimethylphenyl)methyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-sulfonamide is Cc1ccc(CN(C2CC2)S(=O)(=O)c2cnc3c(c2)c(C)nn3C)cc1C.
What is the InChIKey of N-cyclopropyl-N-[(3,4-dimethylphenyl)methyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-sulfonamide?
The InChIKey is HIMSNHHBJLLXPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2S/c1-13-5-6-16(9-14(13)2)12-24(17-7-8-17)27(25,26)18-10-19-15(3)22-23(4)20(19)21-11-18/h5-6,9-11,17H,7-8,12H2,1-4H3.
What are the key properties of N-cyclopropyl-N-[(3,4-dimethylphenyl)methyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-sulfonamide?
N-cyclopropyl-N-[(3,4-dimethylphenyl)methyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-sulfonamide has a molecular weight of 384.51 g/mol, XLogP of 3.25, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[(3,4-dimethylphenyl)methyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-sulfonamide is sourced from PubChem (CID 126780884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).