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

C23H18ClF2N5O4S — CID 88979955

IUPACN-[2-chloro-5-[3-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]-2,4-difluorobenzenesulfonamide
SMILESO=C(c1cnc2ccc(-c3cnc(Cl)c(NS(=O)(=O)c4ccc(F)cc4F)c3)cn12)N1CCOCC1
InChIInChI=1S/C23H18ClF2N5O4S/c24-22-18(29-36(33,34)20-3-2-16(25)10-17(20)26)9-15(11-28-22)14-1-4-21-27-12-19(31(21)13-14)23(32)30-5-7-35-8-6-30/h1-4,9-13,29H,5-8H2
InChIKeyJHSQRVZDDYFSSS-UHFFFAOYSA-N
MW533.94 g/mol
LogP3.60
Rot. Bonds5

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

N-[2-chloro-5-[3-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]-2,4-difluorobenzenesulfonamide (PubChem CID 88979955) has the molecular formula C23H18ClF2N5O4S and a molecular weight of 533.94 g/mol. Its IUPAC name is N-[2-chloro-5-[3-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]-2,4-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[2-chloro-5-[3-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]-2,4-difluorobenzenesulfonamide
PubChem CID88979955
Molecular FormulaC23H18ClF2N5O4S
Molecular Weight533.94 g/mol
Exact Mass533.07
IUPAC NameN-[2-chloro-5-[3-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]-2,4-difluorobenzenesulfonamide
SMILESO=C(c1cnc2ccc(-c3cnc(Cl)c(NS(=O)(=O)c4ccc(F)cc4F)c3)cn12)N1CCOCC1
InChIInChI=1S/C23H18ClF2N5O4S/c24-22-18(29-36(33,34)20-3-2-16(25)10-17(20)26)9-15(11-28-22)14-1-4-21-27-12-19(31(21)13-14)23(32)30-5-7-35-8-6-30/h1-4,9-13,29H,5-8H2
InChIKeyJHSQRVZDDYFSSS-UHFFFAOYSA-N
XLogP3.60
TPSA105.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500533.94
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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]-2,4-difluorobenzenesulfonamide?
The IUPAC name of N-[2-chloro-5-[3-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]-2,4-difluorobenzenesulfonamide (CID 88979955) is N-[2-chloro-5-[3-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]-2,4-difluorobenzenesulfonamide.
What is the SMILES notation for N-[2-chloro-5-[3-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]-2,4-difluorobenzenesulfonamide?
The canonical SMILES for N-[2-chloro-5-[3-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]-2,4-difluorobenzenesulfonamide is O=C(c1cnc2ccc(-c3cnc(Cl)c(NS(=O)(=O)c4ccc(F)cc4F)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]-2,4-difluorobenzenesulfonamide?
The InChIKey is JHSQRVZDDYFSSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClF2N5O4S/c24-22-18(29-36(33,34)20-3-2-16(25)10-17(20)26)9-15(11-28-22)14-1-4-21-27-12-19(31(21)13-14)23(32)30-5-7-35-8-6-30/h1-4,9-13,29H,5-8H2.
What are the key properties of N-[2-chloro-5-[3-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]-2,4-difluorobenzenesulfonamide?
N-[2-chloro-5-[3-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]-2,4-difluorobenzenesulfonamide has a molecular weight of 533.94 g/mol, XLogP of 3.60, 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]-2,4-difluorobenzenesulfonamide is sourced from PubChem (CID 88979955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).