2-chloro-4-[8-(3-fluoro-4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]benzamide;N-(4-methylsulfonylphenyl)-5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-8-amine;4-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]benzenesulfonamide

C64H59ClFN15O7S2 — CID 161163394

About 2-chloro-4-[8-(3-fluoro-4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]benzamide;N-(4-methylsulfonylphenyl)-5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-8-amine;4-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]benzenesulfonamide

2-chloro-4-[8-(3-fluoro-4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]benzamide;N-(4-methylsulfonylphenyl)-5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-8-amine;4-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]benzenesulfonamide (PubChem CID 161163394) has the molecular formula C64H59ClFN15O7S2 and a molecular weight of 1268.86 g/mol. Its IUPAC name is 2-chloro-4-[8-(3-fluoro-4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]benzamide;N-(4-methylsulfonylphenyl)-5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-8-amine;4-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]benzenesulfonamide.

Molecular Properties

• Compound Name: 2-chloro-4-[8-(3-fluoro-4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]benzamide;N-(4-methylsulfonylphenyl)-5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-8-amine;4-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]benzenesulfonamide
• PubChem CID: 161163394
• Molecular Formula: C64H59ClFN15O7S2
• Molecular Weight: 1268.86 g/mol
• Exact Mass: 1267.38
• IUPAC Name: 2-chloro-4-[8-(3-fluoro-4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]benzamide;N-(4-methylsulfonylphenyl)-5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-8-amine;4-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]benzenesulfonamide
• SMILES: CS(=O)(=O)c1ccc(Nc2ccc(-c3cn[nH]c3)n3ccnc23)cc1.NC(=O)c1ccc(-c2ccc(Nc3ccc(N4CCOCC4)c(F)c3)c3nccn23)cc1Cl.NS(=O)(=O)c1ccc(-c2ccc(Nc3ccc(N4CCOCC4)cc3)c3nccn23)cc1
• InChI: InChI=1S/C24H21ClFN5O2.C23H23N5O3S.C17H15N5O2S/c25-18-13-15(1-3-17(18)23(27)32)21-6-4-20(24-28-7-8-31(21)24)29-16-2-5-22(19(26)14-16)30-9-11-33-12-10-30;24-32(29,30)20-7-1-17(2-8-20)22-10-9-21(23-25-11-12-28(22)23)26-18-3-5-19(6-4-18)27-13-15-31-16-14-27;1-25(23,24)14-4-2-13(3-5-14)21-15-6-7-16(12-10-19-20-11-12)22-9-8-18-17(15)22/h1-8,13-14,29H,9-12H2,(H2,27,32);1-12,26H,13-16H2,(H2,24,29,30);2-11,21H,1H3,(H,19,20)
• InChIKey: UQFHNBYYELQRGO-UHFFFAOYSA-N
• XLogP: 10.57
• TPSA: 279.00 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 19
• Rotatable Bonds: 14
• Heavy Atoms: 90
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1268.86
LogP ≤ 5	10.57
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[8-(3-fluoro-4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]benzamide;N-(4-methylsulfonylphenyl)-5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-8-amine;4-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]benzenesulfonamide?

The IUPAC name of 2-chloro-4-[8-(3-fluoro-4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]benzamide;N-(4-methylsulfonylphenyl)-5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-8-amine;4-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]benzenesulfonamide (CID 161163394) is 2-chloro-4-[8-(3-fluoro-4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]benzamide;N-(4-methylsulfonylphenyl)-5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-8-amine;4-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]benzenesulfonamide.

What is the SMILES notation for 2-chloro-4-[8-(3-fluoro-4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]benzamide;N-(4-methylsulfonylphenyl)-5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-8-amine;4-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]benzenesulfonamide?

The canonical SMILES for 2-chloro-4-[8-(3-fluoro-4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]benzamide;N-(4-methylsulfonylphenyl)-5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-8-amine;4-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]benzenesulfonamide is CS(=O)(=O)c1ccc(Nc2ccc(-c3cn[nH]c3)n3ccnc23)cc1.NC(=O)c1ccc(-c2ccc(Nc3ccc(N4CCOCC4)c(F)c3)c3nccn23)cc1Cl.NS(=O)(=O)c1ccc(-c2ccc(Nc3ccc(N4CCOCC4)cc3)c3nccn23)cc1.

What is the InChIKey of 2-chloro-4-[8-(3-fluoro-4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]benzamide;N-(4-methylsulfonylphenyl)-5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-8-amine;4-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]benzenesulfonamide?

The InChIKey is UQFHNBYYELQRGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClFN5O2.C23H23N5O3S.C17H15N5O2S/c25-18-13-15(1-3-17(18)23(27)32)21-6-4-20(24-28-7-8-31(21)24)29-16-2-5-22(19(26)14-16)30-9-11-33-12-10-30;24-32(29,30)20-7-1-17(2-8-20)22-10-9-21(23-25-11-12-28(22)23)26-18-3-5-19(6-4-18)27-13-15-31-16-14-27;1-25(23,24)14-4-2-13(3-5-14)21-15-6-7-16(12-10-19-20-11-12)22-9-8-18-17(15)22/h1-8,13-14,29H,9-12H2,(H2,27,32);1-12,26H,13-16H2,(H2,24,29,30);2-11,21H,1H3,(H,19,20).

What are the key properties of 2-chloro-4-[8-(3-fluoro-4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]benzamide;N-(4-methylsulfonylphenyl)-5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-8-amine;4-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]benzenesulfonamide?

2-chloro-4-[8-(3-fluoro-4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]benzamide;N-(4-methylsulfonylphenyl)-5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-8-amine;4-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]benzenesulfonamide has a molecular weight of 1268.86 g/mol, XLogP of 10.57, 14 rotatable bonds, 6 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-4-[8-(3-fluoro-4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]benzamide;N-(4-methylsulfonylphenyl)-5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-8-amine;4-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]benzenesulfonamide is sourced from PubChem (CID 161163394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).