N-[2-chloro-5-[3-(6-piperidin-1-yl-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]benzenesulfonamide

C27H24ClN7O2S — CID 177371076

IUPACN-[2-chloro-5-[3-(6-piperidin-1-yl-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cc(-c2cnc3n[nH]c(-c4ccc(N5CCCCC5)nc4)c3c2)cnc1Cl)c1ccccc1
InChIInChI=1S/C27H24ClN7O2S/c28-26-23(34-38(36,37)21-7-3-1-4-8-21)14-20(16-30-26)19-13-22-25(32-33-27(22)31-17-19)18-9-10-24(29-15-18)35-11-5-2-6-12-35/h1,3-4,7-10,13-17,34H,2,5-6,11-12H2,(H,31,32,33)
InChIKeyUQCUSPZIFLESFD-UHFFFAOYSA-N
MW546.06 g/mol
LogP5.53
Rot. Bonds6

About N-[2-chloro-5-[3-(6-piperidin-1-yl-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]benzenesulfonamide

N-[2-chloro-5-[3-(6-piperidin-1-yl-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]benzenesulfonamide (PubChem CID 177371076) has the molecular formula C27H24ClN7O2S and a molecular weight of 546.06 g/mol. Its IUPAC name is N-[2-chloro-5-[3-(6-piperidin-1-yl-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-chloro-5-[3-(6-piperidin-1-yl-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]benzenesulfonamide
PubChem CID177371076
Molecular FormulaC27H24ClN7O2S
Molecular Weight546.06 g/mol
Exact Mass545.14
IUPAC NameN-[2-chloro-5-[3-(6-piperidin-1-yl-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cc(-c2cnc3n[nH]c(-c4ccc(N5CCCCC5)nc4)c3c2)cnc1Cl)c1ccccc1
InChIInChI=1S/C27H24ClN7O2S/c28-26-23(34-38(36,37)21-7-3-1-4-8-21)14-20(16-30-26)19-13-22-25(32-33-27(22)31-17-19)18-9-10-24(29-15-18)35-11-5-2-6-12-35/h1,3-4,7-10,13-17,34H,2,5-6,11-12H2,(H,31,32,33)
InChIKeyUQCUSPZIFLESFD-UHFFFAOYSA-N
XLogP5.53
TPSA116.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.06
LogP ≤ 55.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

Sgk1-IN-1
CID 71506845
Sgk1-IN-2
CID 71537261
N-[2-chloro-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyridin-3-yl]benzenesulphonamide
CID 23652981
N-(2-Chloro-5-(1H-pyrazolo[3,4-b]pyridin-5-yl)pyridin-3-yl)benzenesulfonamide
CID 141461656
N-[2-chloro-5-(3-pyridin-4-yl-2H-pyrazolo[3,4-b]pyridin-5-yl)-3-pyridinyl]benzenesulfonamide
CID 141461667
N-[2-chloro-5-(3-phenyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-3-pyridinyl]benzenesulfonamide
CID 141461669
N-[2-chloro-5-(3-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-3-pyridinyl]benzenesulfonamide
CID 141461671
Benzenesulfonamide, N-[2-chloro-5-[3-(4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-4-fluoro-
CID 145977475
N,N-dimethyl-4-[5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]benzenesulfonamide
CID 118720612
N-[2-chloro-5-(3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)-3-pyridinyl]-2-fluorobenzenesulfonamide
CID 145966764
N-[2-chloro-5-(3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)-3-pyridinyl]benzenesulfonamide
CID 145973569
N-(5-(2-Amino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyridin-3-yl)-4-chlorobenzenesulfonamide
CID 42623385

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-[3-(6-piperidin-1-yl-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]benzenesulfonamide?
The IUPAC name of N-[2-chloro-5-[3-(6-piperidin-1-yl-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]benzenesulfonamide (CID 177371076) is N-[2-chloro-5-[3-(6-piperidin-1-yl-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]benzenesulfonamide.
What is the SMILES notation for N-[2-chloro-5-[3-(6-piperidin-1-yl-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]benzenesulfonamide?
The canonical SMILES for N-[2-chloro-5-[3-(6-piperidin-1-yl-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]benzenesulfonamide is O=S(=O)(Nc1cc(-c2cnc3n[nH]c(-c4ccc(N5CCCCC5)nc4)c3c2)cnc1Cl)c1ccccc1.
What is the InChIKey of N-[2-chloro-5-[3-(6-piperidin-1-yl-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]benzenesulfonamide?
The InChIKey is UQCUSPZIFLESFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24ClN7O2S/c28-26-23(34-38(36,37)21-7-3-1-4-8-21)14-20(16-30-26)19-13-22-25(32-33-27(22)31-17-19)18-9-10-24(29-15-18)35-11-5-2-6-12-35/h1,3-4,7-10,13-17,34H,2,5-6,11-12H2,(H,31,32,33).
What are the key properties of N-[2-chloro-5-[3-(6-piperidin-1-yl-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]benzenesulfonamide?
N-[2-chloro-5-[3-(6-piperidin-1-yl-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]benzenesulfonamide has a molecular weight of 546.06 g/mol, XLogP of 5.53, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-[3-(6-piperidin-1-yl-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 177371076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).