4-[[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]sulfamoyl]-N,N-dimethylbenzamide

C25H26N6O3S — CID 24857303

IUPAC4-[[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]sulfamoyl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(S(=O)(=O)Nc2ccc(-c3cc(C4CC4)nc4c3c(N)nn4C)cc2)cc1
InChIInChI=1S/C25H26N6O3S/c1-30(2)25(32)17-8-12-19(13-9-17)35(33,34)29-18-10-6-15(7-11-18)20-14-21(16-4-5-16)27-24-22(20)23(26)28-31(24)3/h6-14,16,29H,4-5H2,1-3H3,(H2,26,28)
InChIKeyJSAFUEJKQICCPA-UHFFFAOYSA-N
MW490.59 g/mol
LogP3.60
Rot. Bonds6

About 4-[[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]sulfamoyl]-N,N-dimethylbenzamide

4-[[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]sulfamoyl]-N,N-dimethylbenzamide (PubChem CID 24857303) has the molecular formula C25H26N6O3S and a molecular weight of 490.59 g/mol. Its IUPAC name is 4-[[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]sulfamoyl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]sulfamoyl]-N,N-dimethylbenzamide
PubChem CID24857303
Molecular FormulaC25H26N6O3S
Molecular Weight490.59 g/mol
Exact Mass490.18
IUPAC Name4-[[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]sulfamoyl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(S(=O)(=O)Nc2ccc(-c3cc(C4CC4)nc4c3c(N)nn4C)cc2)cc1
InChIInChI=1S/C25H26N6O3S/c1-30(2)25(32)17-8-12-19(13-9-17)35(33,34)29-18-10-6-15(7-11-18)20-14-21(16-4-5-16)27-24-22(20)23(26)28-31(24)3/h6-14,16,29H,4-5H2,1-3H3,(H2,26,28)
InChIKeyJSAFUEJKQICCPA-UHFFFAOYSA-N
XLogP3.60
TPSA123.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.59
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]sulfamoyl]-N,N-dimethylbenzamide?
The IUPAC name of 4-[[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]sulfamoyl]-N,N-dimethylbenzamide (CID 24857303) is 4-[[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]sulfamoyl]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]sulfamoyl]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]sulfamoyl]-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(S(=O)(=O)Nc2ccc(-c3cc(C4CC4)nc4c3c(N)nn4C)cc2)cc1.
What is the InChIKey of 4-[[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]sulfamoyl]-N,N-dimethylbenzamide?
The InChIKey is JSAFUEJKQICCPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O3S/c1-30(2)25(32)17-8-12-19(13-9-17)35(33,34)29-18-10-6-15(7-11-18)20-14-21(16-4-5-16)27-24-22(20)23(26)28-31(24)3/h6-14,16,29H,4-5H2,1-3H3,(H2,26,28).
What are the key properties of 4-[[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]sulfamoyl]-N,N-dimethylbenzamide?
4-[[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]sulfamoyl]-N,N-dimethylbenzamide has a molecular weight of 490.59 g/mol, XLogP of 3.60, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]sulfamoyl]-N,N-dimethylbenzamide is sourced from PubChem (CID 24857303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).