3-[2-[4-[(2-aminophenyl)carbamoyl]anilino]-1,3-thiazol-4-yl]-2-methyl-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyridine-6-carboxamide;N-(2-aminophenyl)-4-[[4-[2-methyl-6-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;2-methyl-3-[2-[4-(methylcarbamoyl)anilino]-1,3-thiazol-4-yl]-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyridine-6-carboxamide

C87H91N23O8S3 — CID 123484609

About 3-[2-[4-[(2-aminophenyl)carbamoyl]anilino]-1,3-thiazol-4-yl]-2-methyl-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyridine-6-carboxamide;N-(2-aminophenyl)-4-[[4-[2-methyl-6-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;2-methyl-3-[2-[4-(methylcarbamoyl)anilino]-1,3-thiazol-4-yl]-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyridine-6-carboxamide

3-[2-[4-[(2-aminophenyl)carbamoyl]anilino]-1,3-thiazol-4-yl]-2-methyl-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyridine-6-carboxamide;N-(2-aminophenyl)-4-[[4-[2-methyl-6-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;2-methyl-3-[2-[4-(methylcarbamoyl)anilino]-1,3-thiazol-4-yl]-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 123484609) has the molecular formula C87H91N23O8S3 and a molecular weight of 1683.04 g/mol. Its IUPAC name is 3-[2-[4-[(2-aminophenyl)carbamoyl]anilino]-1,3-thiazol-4-yl]-2-methyl-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyridine-6-carboxamide;N-(2-aminophenyl)-4-[[4-[2-methyl-6-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;2-methyl-3-[2-[4-(methylcarbamoyl)anilino]-1,3-thiazol-4-yl]-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

• Compound Name: 3-[2-[4-[(2-aminophenyl)carbamoyl]anilino]-1,3-thiazol-4-yl]-2-methyl-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyridine-6-carboxamide;N-(2-aminophenyl)-4-[[4-[2-methyl-6-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;2-methyl-3-[2-[4-(methylcarbamoyl)anilino]-1,3-thiazol-4-yl]-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyridine-6-carboxamide
• PubChem CID: 123484609
• Molecular Formula: C87H91N23O8S3
• Molecular Weight: 1683.04 g/mol
• Exact Mass: 1681.66
• IUPAC Name: 3-[2-[4-[(2-aminophenyl)carbamoyl]anilino]-1,3-thiazol-4-yl]-2-methyl-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyridine-6-carboxamide;N-(2-aminophenyl)-4-[[4-[2-methyl-6-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;2-methyl-3-[2-[4-(methylcarbamoyl)anilino]-1,3-thiazol-4-yl]-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyridine-6-carboxamide
• SMILES: CNC(=O)c1ccc(Nc2nc(-c3c(C)nc4ccc(C(=O)NCCN5CCOCC5)cn34)cs2)cc1.Cc1nc2ccc(C(=O)N3CCN(C)CC3)cn2c1-c1csc(Nc2ccc(C(=O)Nc3ccccc3N)cc2)n1.Cc1nc2ccc(C(=O)NCCN3CCOCC3)cn2c1-c1csc(Nc2ccc(C(=O)Nc3ccccc3N)cc2)n1
• InChI: InChI=1S/C31H32N8O3S.C30H30N8O2S.C26H29N7O3S/c1-20-28(39-18-22(8-11-27(39)34-20)29(40)33-12-13-38-14-16-42-17-15-38)26-19-43-31(37-26)35-23-9-6-21(7-10-23)30(41)36-25-5-3-2-4-24(25)32;1-19-27(38-17-21(9-12-26(38)32-19)29(40)37-15-13-36(2)14-16-37)25-18-41-30(35-25)33-22-10-7-20(8-11-22)28(39)34-24-6-4-3-5-23(24)31;1-17-23(21-16-37-26(31-21)30-20-6-3-18(4-7-20)24(34)27-2)33-15-19(5-8-22(33)29-17)25(35)28-9-10-32-11-13-36-14-12-32/h2-11,18-19H,12-17,32H2,1H3,(H,33,40)(H,35,37)(H,36,41);3-12,17-18H,13-16,31H2,1-2H3,(H,33,35)(H,34,39);3-8,15-16H,9-14H2,1-2H3,(H,27,34)(H,28,35)(H,30,31)
• InChIKey: UJASMYZCBWEELB-UHFFFAOYSA-N
• XLogP: 12.07
• TPSA: 372.69 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 28
• Rotatable Bonds: 23
• Heavy Atoms: 121
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1683.04
LogP ≤ 5	12.07
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-[(2-aminophenyl)carbamoyl]anilino]-1,3-thiazol-4-yl]-2-methyl-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyridine-6-carboxamide;N-(2-aminophenyl)-4-[[4-[2-methyl-6-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;2-methyl-3-[2-[4-(methylcarbamoyl)anilino]-1,3-thiazol-4-yl]-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyridine-6-carboxamide?

The IUPAC name of 3-[2-[4-[(2-aminophenyl)carbamoyl]anilino]-1,3-thiazol-4-yl]-2-methyl-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyridine-6-carboxamide;N-(2-aminophenyl)-4-[[4-[2-methyl-6-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;2-methyl-3-[2-[4-(methylcarbamoyl)anilino]-1,3-thiazol-4-yl]-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyridine-6-carboxamide (CID 123484609) is 3-[2-[4-[(2-aminophenyl)carbamoyl]anilino]-1,3-thiazol-4-yl]-2-methyl-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyridine-6-carboxamide;N-(2-aminophenyl)-4-[[4-[2-methyl-6-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;2-methyl-3-[2-[4-(methylcarbamoyl)anilino]-1,3-thiazol-4-yl]-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyridine-6-carboxamide.

What is the SMILES notation for 3-[2-[4-[(2-aminophenyl)carbamoyl]anilino]-1,3-thiazol-4-yl]-2-methyl-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyridine-6-carboxamide;N-(2-aminophenyl)-4-[[4-[2-methyl-6-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;2-methyl-3-[2-[4-(methylcarbamoyl)anilino]-1,3-thiazol-4-yl]-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyridine-6-carboxamide?

The canonical SMILES for 3-[2-[4-[(2-aminophenyl)carbamoyl]anilino]-1,3-thiazol-4-yl]-2-methyl-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyridine-6-carboxamide;N-(2-aminophenyl)-4-[[4-[2-methyl-6-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;2-methyl-3-[2-[4-(methylcarbamoyl)anilino]-1,3-thiazol-4-yl]-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyridine-6-carboxamide is CNC(=O)c1ccc(Nc2nc(-c3c(C)nc4ccc(C(=O)NCCN5CCOCC5)cn34)cs2)cc1.Cc1nc2ccc(C(=O)N3CCN(C)CC3)cn2c1-c1csc(Nc2ccc(C(=O)Nc3ccccc3N)cc2)n1.Cc1nc2ccc(C(=O)NCCN3CCOCC3)cn2c1-c1csc(Nc2ccc(C(=O)Nc3ccccc3N)cc2)n1.

What is the InChIKey of 3-[2-[4-[(2-aminophenyl)carbamoyl]anilino]-1,3-thiazol-4-yl]-2-methyl-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyridine-6-carboxamide;N-(2-aminophenyl)-4-[[4-[2-methyl-6-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;2-methyl-3-[2-[4-(methylcarbamoyl)anilino]-1,3-thiazol-4-yl]-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyridine-6-carboxamide?

The InChIKey is UJASMYZCBWEELB-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32N8O3S.C30H30N8O2S.C26H29N7O3S/c1-20-28(39-18-22(8-11-27(39)34-20)29(40)33-12-13-38-14-16-42-17-15-38)26-19-43-31(37-26)35-23-9-6-21(7-10-23)30(41)36-25-5-3-2-4-24(25)32;1-19-27(38-17-21(9-12-26(38)32-19)29(40)37-15-13-36(2)14-16-37)25-18-41-30(35-25)33-22-10-7-20(8-11-22)28(39)34-24-6-4-3-5-23(24)31;1-17-23(21-16-37-26(31-21)30-20-6-3-18(4-7-20)24(34)27-2)33-15-19(5-8-22(33)29-17)25(35)28-9-10-32-11-13-36-14-12-32/h2-11,18-19H,12-17,32H2,1H3,(H,33,40)(H,35,37)(H,36,41);3-12,17-18H,13-16,31H2,1-2H3,(H,33,35)(H,34,39);3-8,15-16H,9-14H2,1-2H3,(H,27,34)(H,28,35)(H,30,31).

What are the key properties of 3-[2-[4-[(2-aminophenyl)carbamoyl]anilino]-1,3-thiazol-4-yl]-2-methyl-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyridine-6-carboxamide;N-(2-aminophenyl)-4-[[4-[2-methyl-6-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;2-methyl-3-[2-[4-(methylcarbamoyl)anilino]-1,3-thiazol-4-yl]-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyridine-6-carboxamide?

3-[2-[4-[(2-aminophenyl)carbamoyl]anilino]-1,3-thiazol-4-yl]-2-methyl-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyridine-6-carboxamide;N-(2-aminophenyl)-4-[[4-[2-methyl-6-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;2-methyl-3-[2-[4-(methylcarbamoyl)anilino]-1,3-thiazol-4-yl]-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 1683.04 g/mol, XLogP of 12.07, 23 rotatable bonds, 10 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-[4-[(2-aminophenyl)carbamoyl]anilino]-1,3-thiazol-4-yl]-2-methyl-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyridine-6-carboxamide;N-(2-aminophenyl)-4-[[4-[2-methyl-6-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;2-methyl-3-[2-[4-(methylcarbamoyl)anilino]-1,3-thiazol-4-yl]-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 123484609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).