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

C23H19ClFN5O4S — CID 89216369

IUPACN-[2-chloro-5-[3-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]-3-fluorobenzenesulfonamide
SMILESO=C(c1cnc2ccc(-c3cnc(Cl)c(NS(=O)(=O)c4cccc(F)c4)c3)cn12)N1CCOCC1
InChIInChI=1S/C23H19ClFN5O4S/c24-22-19(28-35(32,33)18-3-1-2-17(25)11-18)10-16(12-27-22)15-4-5-21-26-13-20(30(21)14-15)23(31)29-6-8-34-9-7-29/h1-5,10-14,28H,6-9H2
InChIKeyCMDMLRYOCHBYBM-UHFFFAOYSA-N
MW515.95 g/mol
LogP3.46
Rot. Bonds5

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

N-[2-chloro-5-[3-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]-3-fluorobenzenesulfonamide (PubChem CID 89216369) has the molecular formula C23H19ClFN5O4S and a molecular weight of 515.95 g/mol. Its IUPAC name is N-[2-chloro-5-[3-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]-3-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[2-chloro-5-[3-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]-3-fluorobenzenesulfonamide
PubChem CID89216369
Molecular FormulaC23H19ClFN5O4S
Molecular Weight515.95 g/mol
Exact Mass515.08
IUPAC NameN-[2-chloro-5-[3-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]-3-fluorobenzenesulfonamide
SMILESO=C(c1cnc2ccc(-c3cnc(Cl)c(NS(=O)(=O)c4cccc(F)c4)c3)cn12)N1CCOCC1
InChIInChI=1S/C23H19ClFN5O4S/c24-22-19(28-35(32,33)18-3-1-2-17(25)11-18)10-16(12-27-22)15-4-5-21-26-13-20(30(21)14-15)23(31)29-6-8-34-9-7-29/h1-5,10-14,28H,6-9H2
InChIKeyCMDMLRYOCHBYBM-UHFFFAOYSA-N
XLogP3.46
TPSA105.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.95
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-[3-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]-3-fluorobenzenesulfonamide?
The IUPAC name of N-[2-chloro-5-[3-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]-3-fluorobenzenesulfonamide (CID 89216369) is N-[2-chloro-5-[3-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]-3-fluorobenzenesulfonamide.
What is the SMILES notation for N-[2-chloro-5-[3-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]-3-fluorobenzenesulfonamide?
The canonical SMILES for N-[2-chloro-5-[3-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]-3-fluorobenzenesulfonamide is O=C(c1cnc2ccc(-c3cnc(Cl)c(NS(=O)(=O)c4cccc(F)c4)c3)cn12)N1CCOCC1.
What is the InChIKey of N-[2-chloro-5-[3-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]-3-fluorobenzenesulfonamide?
The InChIKey is CMDMLRYOCHBYBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClFN5O4S/c24-22-19(28-35(32,33)18-3-1-2-17(25)11-18)10-16(12-27-22)15-4-5-21-26-13-20(30(21)14-15)23(31)29-6-8-34-9-7-29/h1-5,10-14,28H,6-9H2.
What are the key properties of N-[2-chloro-5-[3-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]-3-fluorobenzenesulfonamide?
N-[2-chloro-5-[3-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]-3-fluorobenzenesulfonamide has a molecular weight of 515.95 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-[3-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]-3-fluorobenzenesulfonamide is sourced from PubChem (CID 89216369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).