N-[[4-[2-(2-amino-3-pyridinyl)-6-bromoimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-3-chlorobenzenesulfonamide

C24H18BrClN6O2S — CID 58344977

IUPACN-[[4-[2-(2-amino-3-pyridinyl)-6-bromoimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-3-chlorobenzenesulfonamide
SMILESNc1ncccc1-c1nc2cc(Br)cnc2n1-c1ccc(CNS(=O)(=O)c2cccc(Cl)c2)cc1
InChIInChI=1S/C24H18BrClN6O2S/c25-16-11-21-24(29-14-16)32(23(31-21)20-5-2-10-28-22(20)27)18-8-6-15(7-9-18)13-30-35(33,34)19-4-1-3-17(26)12-19/h1-12,14,30H,13H2,(H2,27,28)
InChIKeyFEANDURCTKLNNO-UHFFFAOYSA-N
MW569.87 g/mol
LogP4.96
Rot. Bonds6

About N-[[4-[2-(2-amino-3-pyridinyl)-6-bromoimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-3-chlorobenzenesulfonamide

N-[[4-[2-(2-amino-3-pyridinyl)-6-bromoimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-3-chlorobenzenesulfonamide (PubChem CID 58344977) has the molecular formula C24H18BrClN6O2S and a molecular weight of 569.87 g/mol. Its IUPAC name is N-[[4-[2-(2-amino-3-pyridinyl)-6-bromoimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-3-chlorobenzenesulfonamide.

Molecular Properties

Compound NameN-[[4-[2-(2-amino-3-pyridinyl)-6-bromoimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-3-chlorobenzenesulfonamide
PubChem CID58344977
Molecular FormulaC24H18BrClN6O2S
Molecular Weight569.87 g/mol
Exact Mass568.01
IUPAC NameN-[[4-[2-(2-amino-3-pyridinyl)-6-bromoimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-3-chlorobenzenesulfonamide
SMILESNc1ncccc1-c1nc2cc(Br)cnc2n1-c1ccc(CNS(=O)(=O)c2cccc(Cl)c2)cc1
InChIInChI=1S/C24H18BrClN6O2S/c25-16-11-21-24(29-14-16)32(23(31-21)20-5-2-10-28-22(20)27)18-8-6-15(7-9-18)13-30-35(33,34)19-4-1-3-17(26)12-19/h1-12,14,30H,13H2,(H2,27,28)
InChIKeyFEANDURCTKLNNO-UHFFFAOYSA-N
XLogP4.96
TPSA115.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500569.87
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[2-(2-amino-3-pyridinyl)-6-bromoimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-3-chlorobenzenesulfonamide?
The IUPAC name of N-[[4-[2-(2-amino-3-pyridinyl)-6-bromoimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-3-chlorobenzenesulfonamide (CID 58344977) is N-[[4-[2-(2-amino-3-pyridinyl)-6-bromoimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-3-chlorobenzenesulfonamide.
What is the SMILES notation for N-[[4-[2-(2-amino-3-pyridinyl)-6-bromoimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-3-chlorobenzenesulfonamide?
The canonical SMILES for N-[[4-[2-(2-amino-3-pyridinyl)-6-bromoimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-3-chlorobenzenesulfonamide is Nc1ncccc1-c1nc2cc(Br)cnc2n1-c1ccc(CNS(=O)(=O)c2cccc(Cl)c2)cc1.
What is the InChIKey of N-[[4-[2-(2-amino-3-pyridinyl)-6-bromoimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-3-chlorobenzenesulfonamide?
The InChIKey is FEANDURCTKLNNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18BrClN6O2S/c25-16-11-21-24(29-14-16)32(23(31-21)20-5-2-10-28-22(20)27)18-8-6-15(7-9-18)13-30-35(33,34)19-4-1-3-17(26)12-19/h1-12,14,30H,13H2,(H2,27,28).
What are the key properties of N-[[4-[2-(2-amino-3-pyridinyl)-6-bromoimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-3-chlorobenzenesulfonamide?
N-[[4-[2-(2-amino-3-pyridinyl)-6-bromoimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-3-chlorobenzenesulfonamide has a molecular weight of 569.87 g/mol, XLogP of 4.96, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[2-(2-amino-3-pyridinyl)-6-bromoimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-3-chlorobenzenesulfonamide is sourced from PubChem (CID 58344977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).