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

C23H15ClFN5O2S — CID 46898104

IUPACN-[2-chloro-5-(6-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide
SMILESO=S(=O)(Nc1cc(-c2cnc3ccc(-c4cccnc4)cn23)cnc1Cl)c1ccc(F)cc1
InChIInChI=1S/C23H15ClFN5O2S/c24-23-20(29-33(31,32)19-6-4-18(25)5-7-19)10-17(12-28-23)21-13-27-22-8-3-16(14-30(21)22)15-2-1-9-26-11-15/h1-14,29H
InChIKeyAXRRYQQSRRBWPJ-UHFFFAOYSA-N
MW479.92 g/mol
LogP5.05
Rot. Bonds5

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

N-[2-chloro-5-(6-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide (PubChem CID 46898104) has the molecular formula C23H15ClFN5O2S and a molecular weight of 479.92 g/mol. Its IUPAC name is N-[2-chloro-5-(6-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[2-chloro-5-(6-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide
PubChem CID46898104
Molecular FormulaC23H15ClFN5O2S
Molecular Weight479.92 g/mol
Exact Mass479.06
IUPAC NameN-[2-chloro-5-(6-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide
SMILESO=S(=O)(Nc1cc(-c2cnc3ccc(-c4cccnc4)cn23)cnc1Cl)c1ccc(F)cc1
InChIInChI=1S/C23H15ClFN5O2S/c24-23-20(29-33(31,32)19-6-4-18(25)5-7-19)10-17(12-28-23)21-13-27-22-8-3-16(14-30(21)22)15-2-1-9-26-11-15/h1-14,29H
InChIKeyAXRRYQQSRRBWPJ-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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Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(6-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide?
The IUPAC name of N-[2-chloro-5-(6-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide (CID 46898104) is N-[2-chloro-5-(6-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-[2-chloro-5-(6-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide?
The canonical SMILES for N-[2-chloro-5-(6-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide is O=S(=O)(Nc1cc(-c2cnc3ccc(-c4cccnc4)cn23)cnc1Cl)c1ccc(F)cc1.
What is the InChIKey of N-[2-chloro-5-(6-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide?
The InChIKey is AXRRYQQSRRBWPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15ClFN5O2S/c24-23-20(29-33(31,32)19-6-4-18(25)5-7-19)10-17(12-28-23)21-13-27-22-8-3-16(14-30(21)22)15-2-1-9-26-11-15/h1-14,29H.
What are the key properties of N-[2-chloro-5-(6-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide?
N-[2-chloro-5-(6-pyridin-3-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-3-ylimidazo[1,2-a]pyridin-3-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide is sourced from PubChem (CID 46898104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).