1,3-dimethyl-N-[5-methyl-2-(6-methylpyridazin-3-yl)pyrazol-3-yl]pyrazolo[5,4-b]pyridine-5-sulfonamide

C17H18N8O2S — CID 71857788

IUPAC1,3-dimethyl-N-[5-methyl-2-(6-methylpyridazin-3-yl)pyrazol-3-yl]pyrazolo[5,4-b]pyridine-5-sulfonamide
SMILESCc1ccc(-n2nc(C)cc2NS(=O)(=O)c2cnc3c(c2)c(C)nn3C)nn1
InChIInChI=1S/C17H18N8O2S/c1-10-5-6-15(20-19-10)25-16(7-11(2)21-25)23-28(26,27)13-8-14-12(3)22-24(4)17(14)18-9-13/h5-9,23H,1-4H3
InChIKeyAUNDVAOHRQKVRQ-UHFFFAOYSA-N
MW398.45 g/mol
LogP1.67
Rot. Bonds4

About 1,3-dimethyl-N-[5-methyl-2-(6-methylpyridazin-3-yl)pyrazol-3-yl]pyrazolo[5,4-b]pyridine-5-sulfonamide

1,3-dimethyl-N-[5-methyl-2-(6-methylpyridazin-3-yl)pyrazol-3-yl]pyrazolo[5,4-b]pyridine-5-sulfonamide (PubChem CID 71857788) has the molecular formula C17H18N8O2S and a molecular weight of 398.45 g/mol. Its IUPAC name is 1,3-dimethyl-N-[5-methyl-2-(6-methylpyridazin-3-yl)pyrazol-3-yl]pyrazolo[5,4-b]pyridine-5-sulfonamide.

Molecular Properties

Compound Name1,3-dimethyl-N-[5-methyl-2-(6-methylpyridazin-3-yl)pyrazol-3-yl]pyrazolo[5,4-b]pyridine-5-sulfonamide
PubChem CID71857788
Molecular FormulaC17H18N8O2S
Molecular Weight398.45 g/mol
Exact Mass398.13
IUPAC Name1,3-dimethyl-N-[5-methyl-2-(6-methylpyridazin-3-yl)pyrazol-3-yl]pyrazolo[5,4-b]pyridine-5-sulfonamide
SMILESCc1ccc(-n2nc(C)cc2NS(=O)(=O)c2cnc3c(c2)c(C)nn3C)nn1
InChIInChI=1S/C17H18N8O2S/c1-10-5-6-15(20-19-10)25-16(7-11(2)21-25)23-28(26,27)13-8-14-12(3)22-24(4)17(14)18-9-13/h5-9,23H,1-4H3
InChIKeyAUNDVAOHRQKVRQ-UHFFFAOYSA-N
XLogP1.67
TPSA120.48 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.45
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-[5-methyl-2-(6-methylpyridazin-3-yl)pyrazol-3-yl]pyrazolo[5,4-b]pyridine-5-sulfonamide?
The IUPAC name of 1,3-dimethyl-N-[5-methyl-2-(6-methylpyridazin-3-yl)pyrazol-3-yl]pyrazolo[5,4-b]pyridine-5-sulfonamide (CID 71857788) is 1,3-dimethyl-N-[5-methyl-2-(6-methylpyridazin-3-yl)pyrazol-3-yl]pyrazolo[5,4-b]pyridine-5-sulfonamide.
What is the SMILES notation for 1,3-dimethyl-N-[5-methyl-2-(6-methylpyridazin-3-yl)pyrazol-3-yl]pyrazolo[5,4-b]pyridine-5-sulfonamide?
The canonical SMILES for 1,3-dimethyl-N-[5-methyl-2-(6-methylpyridazin-3-yl)pyrazol-3-yl]pyrazolo[5,4-b]pyridine-5-sulfonamide is Cc1ccc(-n2nc(C)cc2NS(=O)(=O)c2cnc3c(c2)c(C)nn3C)nn1.
What is the InChIKey of 1,3-dimethyl-N-[5-methyl-2-(6-methylpyridazin-3-yl)pyrazol-3-yl]pyrazolo[5,4-b]pyridine-5-sulfonamide?
The InChIKey is AUNDVAOHRQKVRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N8O2S/c1-10-5-6-15(20-19-10)25-16(7-11(2)21-25)23-28(26,27)13-8-14-12(3)22-24(4)17(14)18-9-13/h5-9,23H,1-4H3.
What are the key properties of 1,3-dimethyl-N-[5-methyl-2-(6-methylpyridazin-3-yl)pyrazol-3-yl]pyrazolo[5,4-b]pyridine-5-sulfonamide?
1,3-dimethyl-N-[5-methyl-2-(6-methylpyridazin-3-yl)pyrazol-3-yl]pyrazolo[5,4-b]pyridine-5-sulfonamide has a molecular weight of 398.45 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-[5-methyl-2-(6-methylpyridazin-3-yl)pyrazol-3-yl]pyrazolo[5,4-b]pyridine-5-sulfonamide is sourced from PubChem (CID 71857788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).