N-[4-[3-amino-6-cyclopropyl-1-[2-(dimethylamino)ethyl]pyrazolo[5,4-b]pyridin-4-yl]phenyl]benzenesulfonamide

C25H28N6O2S — CID 24857392

IUPACN-[4-[3-amino-6-cyclopropyl-1-[2-(dimethylamino)ethyl]pyrazolo[5,4-b]pyridin-4-yl]phenyl]benzenesulfonamide
SMILESCN(C)CCn1nc(N)c2c(-c3ccc(NS(=O)(=O)c4ccccc4)cc3)cc(C3CC3)nc21
InChIInChI=1S/C25H28N6O2S/c1-30(2)14-15-31-25-23(24(26)28-31)21(16-22(27-25)18-8-9-18)17-10-12-19(13-11-17)29-34(32,33)20-6-4-3-5-7-20/h3-7,10-13,16,18,29H,8-9,14-15H2,1-2H3,(H2,26,28)
InChIKeyXSSYZIRMTDOTHL-UHFFFAOYSA-N
MW476.61 g/mol
LogP3.92
Rot. Bonds8

About N-[4-[3-amino-6-cyclopropyl-1-[2-(dimethylamino)ethyl]pyrazolo[5,4-b]pyridin-4-yl]phenyl]benzenesulfonamide

N-[4-[3-amino-6-cyclopropyl-1-[2-(dimethylamino)ethyl]pyrazolo[5,4-b]pyridin-4-yl]phenyl]benzenesulfonamide (PubChem CID 24857392) has the molecular formula C25H28N6O2S and a molecular weight of 476.61 g/mol. Its IUPAC name is N-[4-[3-amino-6-cyclopropyl-1-[2-(dimethylamino)ethyl]pyrazolo[5,4-b]pyridin-4-yl]phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[4-[3-amino-6-cyclopropyl-1-[2-(dimethylamino)ethyl]pyrazolo[5,4-b]pyridin-4-yl]phenyl]benzenesulfonamide
PubChem CID24857392
Molecular FormulaC25H28N6O2S
Molecular Weight476.61 g/mol
Exact Mass476.20
IUPAC NameN-[4-[3-amino-6-cyclopropyl-1-[2-(dimethylamino)ethyl]pyrazolo[5,4-b]pyridin-4-yl]phenyl]benzenesulfonamide
SMILESCN(C)CCn1nc(N)c2c(-c3ccc(NS(=O)(=O)c4ccccc4)cc3)cc(C3CC3)nc21
InChIInChI=1S/C25H28N6O2S/c1-30(2)14-15-31-25-23(24(26)28-31)21(16-22(27-25)18-8-9-18)17-10-12-19(13-11-17)29-34(32,33)20-6-4-3-5-7-20/h3-7,10-13,16,18,29H,8-9,14-15H2,1-2H3,(H2,26,28)
InChIKeyXSSYZIRMTDOTHL-UHFFFAOYSA-N
XLogP3.92
TPSA106.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.61
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-[3-amino-6-cyclopropyl-1-[2-(dimethylamino)ethyl]pyrazolo[5,4-b]pyridin-4-yl]phenyl]benzenesulfonamide?
The IUPAC name of N-[4-[3-amino-6-cyclopropyl-1-[2-(dimethylamino)ethyl]pyrazolo[5,4-b]pyridin-4-yl]phenyl]benzenesulfonamide (CID 24857392) is N-[4-[3-amino-6-cyclopropyl-1-[2-(dimethylamino)ethyl]pyrazolo[5,4-b]pyridin-4-yl]phenyl]benzenesulfonamide.
What is the SMILES notation for N-[4-[3-amino-6-cyclopropyl-1-[2-(dimethylamino)ethyl]pyrazolo[5,4-b]pyridin-4-yl]phenyl]benzenesulfonamide?
The canonical SMILES for N-[4-[3-amino-6-cyclopropyl-1-[2-(dimethylamino)ethyl]pyrazolo[5,4-b]pyridin-4-yl]phenyl]benzenesulfonamide is CN(C)CCn1nc(N)c2c(-c3ccc(NS(=O)(=O)c4ccccc4)cc3)cc(C3CC3)nc21.
What is the InChIKey of N-[4-[3-amino-6-cyclopropyl-1-[2-(dimethylamino)ethyl]pyrazolo[5,4-b]pyridin-4-yl]phenyl]benzenesulfonamide?
The InChIKey is XSSYZIRMTDOTHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N6O2S/c1-30(2)14-15-31-25-23(24(26)28-31)21(16-22(27-25)18-8-9-18)17-10-12-19(13-11-17)29-34(32,33)20-6-4-3-5-7-20/h3-7,10-13,16,18,29H,8-9,14-15H2,1-2H3,(H2,26,28).
What are the key properties of N-[4-[3-amino-6-cyclopropyl-1-[2-(dimethylamino)ethyl]pyrazolo[5,4-b]pyridin-4-yl]phenyl]benzenesulfonamide?
N-[4-[3-amino-6-cyclopropyl-1-[2-(dimethylamino)ethyl]pyrazolo[5,4-b]pyridin-4-yl]phenyl]benzenesulfonamide has a molecular weight of 476.61 g/mol, XLogP of 3.92, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-amino-6-cyclopropyl-1-[2-(dimethylamino)ethyl]pyrazolo[5,4-b]pyridin-4-yl]phenyl]benzenesulfonamide is sourced from PubChem (CID 24857392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).