N-(2-amino-6-fluorophenyl)-4-[[4-[7-[(dimethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-amino-6-fluorophenyl)-4-[[4-[7-[(dimethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]-3-fluorobenzamide;N-(2-aminophenyl)-4-[[4-[7-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[4-[7-(pyrrolidin-1-ylmethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide

C108H101F3N28O5S4 — CID 157299713

About N-(2-amino-6-fluorophenyl)-4-[[4-[7-[(dimethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-amino-6-fluorophenyl)-4-[[4-[7-[(dimethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]-3-fluorobenzamide;N-(2-aminophenyl)-4-[[4-[7-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[4-[7-(pyrrolidin-1-ylmethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide

N-(2-amino-6-fluorophenyl)-4-[[4-[7-[(dimethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-amino-6-fluorophenyl)-4-[[4-[7-[(dimethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]-3-fluorobenzamide;N-(2-aminophenyl)-4-[[4-[7-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[4-[7-(pyrrolidin-1-ylmethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide (PubChem CID 157299713) has the molecular formula C108H101F3N28O5S4 and a molecular weight of 2056.45 g/mol. Its IUPAC name is N-(2-amino-6-fluorophenyl)-4-[[4-[7-[(dimethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-amino-6-fluorophenyl)-4-[[4-[7-[(dimethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]-3-fluorobenzamide;N-(2-aminophenyl)-4-[[4-[7-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[4-[7-(pyrrolidin-1-ylmethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide.

Molecular Properties

• Compound Name: N-(2-amino-6-fluorophenyl)-4-[[4-[7-[(dimethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-amino-6-fluorophenyl)-4-[[4-[7-[(dimethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]-3-fluorobenzamide;N-(2-aminophenyl)-4-[[4-[7-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[4-[7-(pyrrolidin-1-ylmethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide
• PubChem CID: 157299713
• Molecular Formula: C108H101F3N28O5S4
• Molecular Weight: 2056.45 g/mol
• Exact Mass: 2054.73
• IUPAC Name: N-(2-amino-6-fluorophenyl)-4-[[4-[7-[(dimethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-amino-6-fluorophenyl)-4-[[4-[7-[(dimethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]-3-fluorobenzamide;N-(2-aminophenyl)-4-[[4-[7-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[4-[7-(pyrrolidin-1-ylmethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide
• SMILES: CN(C)Cc1ccn2c(-c3csc(Nc4ccc(C(=O)Nc5c(N)cccc5F)cc4)n3)cnc2c1.CN(C)Cc1ccn2c(-c3csc(Nc4ccc(C(=O)Nc5c(N)cccc5F)cc4F)n3)cnc2c1.Nc1ccccc1NC(=O)c1ccc(Nc2nc(-c3cnc4cc(CN5CCCC5)ccn34)cs2)cc1.Nc1ccccc1NC(=O)c1ccc(Nc2nc(-c3cnc4cc(CN5CCOCC5)ccn34)cs2)cc1
• InChI: InChI=1S/C28H27N7O2S.C28H27N7OS.C26H23F2N7OS.C26H24FN7OS/c29-22-3-1-2-4-23(22)32-27(36)20-5-7-21(8-6-20)31-28-33-24(18-38-28)25-16-30-26-15-19(9-10-35(25)26)17-34-11-13-37-14-12-34;29-22-5-1-2-6-23(22)32-27(36)20-7-9-21(10-8-20)31-28-33-24(18-37-28)25-16-30-26-15-19(11-14-35(25)26)17-34-12-3-4-13-34;1-34(2)13-15-8-9-35-22(12-30-23(35)10-15)21-14-37-26(32-21)31-20-7-6-16(11-18(20)28)25(36)33-24-17(27)4-3-5-19(24)29;1-33(2)14-16-10-11-34-22(13-29-23(34)12-16)21-15-36-26(31-21)30-18-8-6-17(7-9-18)25(35)32-24-19(27)4-3-5-20(24)28/h1-10,15-16,18H,11-14,17,29H2,(H,31,33)(H,32,36);1-2,5-11,14-16,18H,3-4,12-13,17,29H2,(H,31,33)(H,32,36);3-12,14H,13,29H2,1-2H3,(H,31,32)(H,33,36);3-13,15H,14,28H2,1-2H3,(H,30,31)(H,32,35)
• InChIKey: BBTJTXUBEWPYFN-UHFFFAOYSA-N
• XLogP: 21.11
• TPSA: 411.55 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 33
• Rotatable Bonds: 28
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2056.45
LogP ≤ 5	21.11
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-6-fluorophenyl)-4-[[4-[7-[(dimethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-amino-6-fluorophenyl)-4-[[4-[7-[(dimethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]-3-fluorobenzamide;N-(2-aminophenyl)-4-[[4-[7-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[4-[7-(pyrrolidin-1-ylmethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide?

The IUPAC name of N-(2-amino-6-fluorophenyl)-4-[[4-[7-[(dimethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-amino-6-fluorophenyl)-4-[[4-[7-[(dimethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]-3-fluorobenzamide;N-(2-aminophenyl)-4-[[4-[7-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[4-[7-(pyrrolidin-1-ylmethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide (CID 157299713) is N-(2-amino-6-fluorophenyl)-4-[[4-[7-[(dimethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-amino-6-fluorophenyl)-4-[[4-[7-[(dimethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]-3-fluorobenzamide;N-(2-aminophenyl)-4-[[4-[7-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[4-[7-(pyrrolidin-1-ylmethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide.

What is the SMILES notation for N-(2-amino-6-fluorophenyl)-4-[[4-[7-[(dimethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-amino-6-fluorophenyl)-4-[[4-[7-[(dimethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]-3-fluorobenzamide;N-(2-aminophenyl)-4-[[4-[7-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[4-[7-(pyrrolidin-1-ylmethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide?

The canonical SMILES for N-(2-amino-6-fluorophenyl)-4-[[4-[7-[(dimethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-amino-6-fluorophenyl)-4-[[4-[7-[(dimethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]-3-fluorobenzamide;N-(2-aminophenyl)-4-[[4-[7-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[4-[7-(pyrrolidin-1-ylmethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide is CN(C)Cc1ccn2c(-c3csc(Nc4ccc(C(=O)Nc5c(N)cccc5F)cc4)n3)cnc2c1.CN(C)Cc1ccn2c(-c3csc(Nc4ccc(C(=O)Nc5c(N)cccc5F)cc4F)n3)cnc2c1.Nc1ccccc1NC(=O)c1ccc(Nc2nc(-c3cnc4cc(CN5CCCC5)ccn34)cs2)cc1.Nc1ccccc1NC(=O)c1ccc(Nc2nc(-c3cnc4cc(CN5CCOCC5)ccn34)cs2)cc1.

What is the InChIKey of N-(2-amino-6-fluorophenyl)-4-[[4-[7-[(dimethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-amino-6-fluorophenyl)-4-[[4-[7-[(dimethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]-3-fluorobenzamide;N-(2-aminophenyl)-4-[[4-[7-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[4-[7-(pyrrolidin-1-ylmethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide?

The InChIKey is BBTJTXUBEWPYFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N7O2S.C28H27N7OS.C26H23F2N7OS.C26H24FN7OS/c29-22-3-1-2-4-23(22)32-27(36)20-5-7-21(8-6-20)31-28-33-24(18-38-28)25-16-30-26-15-19(9-10-35(25)26)17-34-11-13-37-14-12-34;29-22-5-1-2-6-23(22)32-27(36)20-7-9-21(10-8-20)31-28-33-24(18-37-28)25-16-30-26-15-19(11-14-35(25)26)17-34-12-3-4-13-34;1-34(2)13-15-8-9-35-22(12-30-23(35)10-15)21-14-37-26(32-21)31-20-7-6-16(11-18(20)28)25(36)33-24-17(27)4-3-5-19(24)29;1-33(2)14-16-10-11-34-22(13-29-23(34)12-16)21-15-36-26(31-21)30-18-8-6-17(7-9-18)25(35)32-24-19(27)4-3-5-20(24)28/h1-10,15-16,18H,11-14,17,29H2,(H,31,33)(H,32,36);1-2,5-11,14-16,18H,3-4,12-13,17,29H2,(H,31,33)(H,32,36);3-12,14H,13,29H2,1-2H3,(H,31,32)(H,33,36);3-13,15H,14,28H2,1-2H3,(H,30,31)(H,32,35).

What are the key properties of N-(2-amino-6-fluorophenyl)-4-[[4-[7-[(dimethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-amino-6-fluorophenyl)-4-[[4-[7-[(dimethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]-3-fluorobenzamide;N-(2-aminophenyl)-4-[[4-[7-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[4-[7-(pyrrolidin-1-ylmethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide?

N-(2-amino-6-fluorophenyl)-4-[[4-[7-[(dimethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-amino-6-fluorophenyl)-4-[[4-[7-[(dimethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]-3-fluorobenzamide;N-(2-aminophenyl)-4-[[4-[7-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[4-[7-(pyrrolidin-1-ylmethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide has a molecular weight of 2056.45 g/mol, XLogP of 21.11, 28 rotatable bonds, 12 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-amino-6-fluorophenyl)-4-[[4-[7-[(dimethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-amino-6-fluorophenyl)-4-[[4-[7-[(dimethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]-3-fluorobenzamide;N-(2-aminophenyl)-4-[[4-[7-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[4-[7-(pyrrolidin-1-ylmethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide is sourced from PubChem (CID 157299713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).