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

C22H21N5O2S — CID 24857217

IUPACN-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]benzenesulfonamide
SMILESCn1nc(N)c2c(-c3ccc(NS(=O)(=O)c4ccccc4)cc3)cc(C3CC3)nc21
InChIInChI=1S/C22H21N5O2S/c1-27-22-20(21(23)25-27)18(13-19(24-22)15-7-8-15)14-9-11-16(12-10-14)26-30(28,29)17-5-3-2-4-6-17/h2-6,9-13,15,26H,7-8H2,1H3,(H2,23,25)
InChIKeyNLZMEWORIZGAGX-UHFFFAOYSA-N
MW419.51 g/mol
LogP3.90
Rot. Bonds5

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

N-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]benzenesulfonamide (PubChem CID 24857217) has the molecular formula C22H21N5O2S and a molecular weight of 419.51 g/mol. Its IUPAC name is N-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]benzenesulfonamide
PubChem CID24857217
Molecular FormulaC22H21N5O2S
Molecular Weight419.51 g/mol
Exact Mass419.14
IUPAC NameN-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]benzenesulfonamide
SMILESCn1nc(N)c2c(-c3ccc(NS(=O)(=O)c4ccccc4)cc3)cc(C3CC3)nc21
InChIInChI=1S/C22H21N5O2S/c1-27-22-20(21(23)25-27)18(13-19(24-22)15-7-8-15)14-9-11-16(12-10-14)26-30(28,29)17-5-3-2-4-6-17/h2-6,9-13,15,26H,7-8H2,1H3,(H2,23,25)
InChIKeyNLZMEWORIZGAGX-UHFFFAOYSA-N
XLogP3.90
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.51
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Pazopanib
CID 10113978
4-[5-(trans-4-Aminocyclohexylamino)-3-isopropylpyrazolo[1,5-A]pyrimidin-7-ylamino]-N,N-dimethylbenzenesulfonamide
CID 5287990
Benzenesulfonamide, 5-((4-((2,3-dimethyl-2H-indazol-6-yl)amino)-2-pyrimidinyl)amino)-2-methyl-
CID 68319455
3-((4-((2,3-Dimethyl-2H-indazol-6-yl)(methyl)amino)pyrimidin-2-yl)amino)benzenesulfonamide
CID 10180652
4-({5-[(4-aminocyclohexyl)amino]-3-cyclopentylpyrazolo[1,5-a]pyrimidin-7-yl}amino)-N,N-dimethylbenzene-1-sulfonamide
CID 23645566
4-[(5-{[4-(ethylamino)cyclohexyl]amino}-3-(propan-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl)amino]-N,N-dimethylbenzene-1-sulfonamide
CID 23645568
3-({4-[methyl(2-methyl-2H-indazol-6-yl)amino]pyrimidin-2-yl}amino)benzene-1-sulfonamide
CID 24949548
N-(3-{[4-Amino-1-(Propan-2-Yl)-1h-Pyrazolo[3,4-D]pyrimidin-3-Yl]methyl}phenyl)ethanesulfonamide
CID 70115992
3-((4-((1,3-Dimethyl-1H-indazol-6-yl)(methyl)amino)pyrimidin-2-yl)amino)benzenesulfonamide
CID 24949546
3-({4-[(2-benzyl-3-methyl-2H-indazol-6-yl)(methyl)amino]pyrimidin-2-yl}amino)benzene-1-sulfonamide
CID 24949702
4-((4-((2,3-dimethyl-2H-indazole-6-yl)(methyl) amino)pyrimidin-2-yl)amino) benzenesulfonamide (P2b)
CID 74982356
4-({5-[(3-aminocyclohexyl)amino]-3-(propan-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl}amino)-N,N-dimethylbenzene-1-sulfonamide
CID 23645571

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]benzenesulfonamide?
The IUPAC name of N-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]benzenesulfonamide (CID 24857217) is N-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for N-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]benzenesulfonamide?
The canonical SMILES for N-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]benzenesulfonamide is Cn1nc(N)c2c(-c3ccc(NS(=O)(=O)c4ccccc4)cc3)cc(C3CC3)nc21.
What is the InChIKey of N-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]benzenesulfonamide?
The InChIKey is NLZMEWORIZGAGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O2S/c1-27-22-20(21(23)25-27)18(13-19(24-22)15-7-8-15)14-9-11-16(12-10-14)26-30(28,29)17-5-3-2-4-6-17/h2-6,9-13,15,26H,7-8H2,1H3,(H2,23,25).
What are the key properties of N-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]benzenesulfonamide?
N-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]benzenesulfonamide has a molecular weight of 419.51 g/mol, XLogP of 3.90, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 24857217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).