4-[5-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-1H-pyrazol-3-yl]-1H-pyrrolo[2,3-b]pyridine

C22H23N5O2S — CID 176896493

IUPAC4-[5-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-1H-pyrazol-3-yl]-1H-pyrrolo[2,3-b]pyridine
SMILESCc1ccc(S(=O)(=O)N2CCC(c3cc(-c4ccnc5[nH]ccc45)n[nH]3)CC2)cc1
InChIInChI=1S/C22H23N5O2S/c1-15-2-4-17(5-3-15)30(28,29)27-12-8-16(9-13-27)20-14-21(26-25-20)18-6-10-23-22-19(18)7-11-24-22/h2-7,10-11,14,16H,8-9,12-13H2,1H3,(H,23,24)(H,25,26)
InChIKeyZCMSUSJAOLBXSG-UHFFFAOYSA-N
MW421.53 g/mol
LogP3.83
Rot. Bonds4

About 4-[5-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-1H-pyrazol-3-yl]-1H-pyrrolo[2,3-b]pyridine

4-[5-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-1H-pyrazol-3-yl]-1H-pyrrolo[2,3-b]pyridine (PubChem CID 176896493) has the molecular formula C22H23N5O2S and a molecular weight of 421.53 g/mol. Its IUPAC name is 4-[5-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-1H-pyrazol-3-yl]-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name4-[5-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-1H-pyrazol-3-yl]-1H-pyrrolo[2,3-b]pyridine
PubChem CID176896493
Molecular FormulaC22H23N5O2S
Molecular Weight421.53 g/mol
Exact Mass421.16
IUPAC Name4-[5-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-1H-pyrazol-3-yl]-1H-pyrrolo[2,3-b]pyridine
SMILESCc1ccc(S(=O)(=O)N2CCC(c3cc(-c4ccnc5[nH]ccc45)n[nH]3)CC2)cc1
InChIInChI=1S/C22H23N5O2S/c1-15-2-4-17(5-3-15)30(28,29)27-12-8-16(9-13-27)20-14-21(26-25-20)18-6-10-23-22-19(18)7-11-24-22/h2-7,10-11,14,16H,8-9,12-13H2,1H3,(H,23,24)(H,25,26)
InChIKeyZCMSUSJAOLBXSG-UHFFFAOYSA-N
XLogP3.83
TPSA94.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.53
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[5-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-1H-pyrazol-3-yl]-1H-pyrrolo[2,3-b]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-({4-[methyl(3-methyl-1H-indazol-6-yl)amino]pyrimidin-2-yl}amino)benzene-1-sulfonamide
CID 21956341
3-[4-[2-(4-piperidin-4-ylanilino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]pyrazol-1-yl]propanenitrile
CID 155570099
4-[1-(but-3-en-1-yl)-1H-pyrazol-4-yl]-N-[4-(piperidin-4-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 155570100
N,N-Dimethyl-4-[(6r)-6-Methyl-5-(1h-Pyrrolo[2,3-B]pyridin-4-Yl)-4,5,6,7-Tetrahydropyrazolo[1,5-A]pyrazin-3-Yl]benzenesulfonamide
CID 86306050
3-{[4-(1H-indazol-4-ylamino)pyrimidin-2-yl]amino}benzene-1-sulfonamide
CID 25138049
N,N-dimethyl-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline
CID 10040667
N~2~-(1,1-Dioxido-2,3-Dihydro-1,2-Benzothiazol-6-Yl)-5-Fluoro-N~4~-(1h-Indazol-4-Yl)-N~4~-Methylpyrimidine-2,4-Diamine
CID 15979351
4-Ethyl-6-[5-(1h-Pyrazol-4-Yl)-1h-Pyrrolo[2,3-B]pyridin-3-Yl]pyrimidin-2-Amine
CID 25165773
N-(1,1-Dioxidotetrahydro-2h-Thiopyran-4-Yl)-4-[2-(1-Methylethyl)-1h-Pyrrolo[2,3-B]pyridin-4-Yl]benzenesulfonamide
CID 59744451
N-(3-{[(5-Cyano-2-Phenyl-1h-Pyrrolo[2,3-B]pyridin-4-Yl)amino]methyl}pyridin-2-Yl)-N-Methylmethanesulfonamide
CID 71277531
US20230339900, Example 20
CID 162761031
N-methyl-3-[(6-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]benzenesulfonamide
CID 67996291

Frequently Asked Questions

What is the IUPAC name of 4-[5-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-1H-pyrazol-3-yl]-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 4-[5-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-1H-pyrazol-3-yl]-1H-pyrrolo[2,3-b]pyridine (CID 176896493) is 4-[5-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-1H-pyrazol-3-yl]-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 4-[5-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-1H-pyrazol-3-yl]-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 4-[5-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-1H-pyrazol-3-yl]-1H-pyrrolo[2,3-b]pyridine is Cc1ccc(S(=O)(=O)N2CCC(c3cc(-c4ccnc5[nH]ccc45)n[nH]3)CC2)cc1.
What is the InChIKey of 4-[5-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-1H-pyrazol-3-yl]-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is ZCMSUSJAOLBXSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2S/c1-15-2-4-17(5-3-15)30(28,29)27-12-8-16(9-13-27)20-14-21(26-25-20)18-6-10-23-22-19(18)7-11-24-22/h2-7,10-11,14,16H,8-9,12-13H2,1H3,(H,23,24)(H,25,26).
What are the key properties of 4-[5-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-1H-pyrazol-3-yl]-1H-pyrrolo[2,3-b]pyridine?
4-[5-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-1H-pyrazol-3-yl]-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 421.53 g/mol, XLogP of 3.83, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-1H-pyrazol-3-yl]-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 176896493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).