N-[2-chloro-5-(6-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide

C23H15ClFN5O2S — CID 46913315

IUPACN-[2-chloro-5-(6-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide
SMILESO=S(=O)(Nc1cc(-c2cnc3ccc(-c4ccncc4)cn23)cnc1Cl)c1ccc(F)cc1
InChIInChI=1S/C23H15ClFN5O2S/c24-23-20(29-33(31,32)19-4-2-18(25)3-5-19)11-17(12-28-23)21-13-27-22-6-1-16(14-30(21)22)15-7-9-26-10-8-15/h1-14,29H
InChIKeyIBVMYUGZTVTTJS-UHFFFAOYSA-N
MW479.92 g/mol
LogP5.05
Rot. Bonds5

About N-[2-chloro-5-(6-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide

N-[2-chloro-5-(6-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide (PubChem CID 46913315) has the molecular formula C23H15ClFN5O2S and a molecular weight of 479.92 g/mol. Its IUPAC name is N-[2-chloro-5-(6-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[2-chloro-5-(6-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide
PubChem CID46913315
Molecular FormulaC23H15ClFN5O2S
Molecular Weight479.92 g/mol
Exact Mass479.06
IUPAC NameN-[2-chloro-5-(6-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide
SMILESO=S(=O)(Nc1cc(-c2cnc3ccc(-c4ccncc4)cn23)cnc1Cl)c1ccc(F)cc1
InChIInChI=1S/C23H15ClFN5O2S/c24-23-20(29-33(31,32)19-4-2-18(25)3-5-19)11-17(12-28-23)21-13-27-22-6-1-16(14-30(21)22)15-7-9-26-10-8-15/h1-14,29H
InChIKeyIBVMYUGZTVTTJS-UHFFFAOYSA-N
XLogP5.05
TPSA89.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.92
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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N-(6-(6-chloro-5-(4-fluorophenylsulfonamido)pyridin-3-yl)imidazo[1,2-b]pyridazin-2-yl)acetamide
CID 44124863
N-[2-chloro-5-(3-piperidin-1-ylquinoxalin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide
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N-(5-(3-(2H-Tetrazol-5-yl)imidazo[1,2-a]pyridin-6-yl)pyridin-3-yl)-benzenesulfonamide
CID 52936958
N-(5-(3-(2H-Tetrazol-5-yl)imidazo[1,2-a]pyridin-6-yl)pyridin-3-yl)-2,4-difluorobenzenesulfonamide
CID 52937066
N-(3-(3-(9H-purin-6-yl)pyridin-2-ylamino)-2,4-difluorophenyl)pyridin-3-sulfonamide
CID 57345328
N-[1-[8-(2-Chlorophenyl)-9-(4-chlorophenyl)-9H-purin-6-yl]-4-piperidinyl]benzenesulfonamide
CID 71460978
N-[2-chloro-5-(4-pyridin-4-ylthieno[2,3-d]pyrimidin-6-yl)-3-pyridinyl]-2,4-difluorobenzenesulfonamide
CID 122178124
N-[2-chloro-5-(4-pyridin-4-ylthieno[2,3-d]pyrimidin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide
CID 122178125
N-[1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]piperidin-4-yl]-2-fluorobenzenesulfonamide
CID 135156190

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(6-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide?
The IUPAC name of N-[2-chloro-5-(6-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide (CID 46913315) is N-[2-chloro-5-(6-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-[2-chloro-5-(6-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide?
The canonical SMILES for N-[2-chloro-5-(6-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide is O=S(=O)(Nc1cc(-c2cnc3ccc(-c4ccncc4)cn23)cnc1Cl)c1ccc(F)cc1.
What is the InChIKey of N-[2-chloro-5-(6-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide?
The InChIKey is IBVMYUGZTVTTJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15ClFN5O2S/c24-23-20(29-33(31,32)19-4-2-18(25)3-5-19)11-17(12-28-23)21-13-27-22-6-1-16(14-30(21)22)15-7-9-26-10-8-15/h1-14,29H.
What are the key properties of N-[2-chloro-5-(6-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide?
N-[2-chloro-5-(6-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide has a molecular weight of 479.92 g/mol, XLogP of 5.05, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(6-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide is sourced from PubChem (CID 46913315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).