N-(2-aminophenyl)-4-[[4-[5-[(cyclopropylmethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[4-[6-[(cyclopropylmethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[4-[7-[(cyclopropylmethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[4-[8-[(cyclopropylmethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;bis(N-(2-aminophenyl)-4-[[4-[7-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide)

C170H164N44O8S6 — CID 159496695

About N-(2-aminophenyl)-4-[[4-[5-[(cyclopropylmethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[4-[6-[(cyclopropylmethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[4-[7-[(cyclopropylmethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[4-[8-[(cyclopropylmethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;bis(N-(2-aminophenyl)-4-[[4-[7-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide)

N-(2-aminophenyl)-4-[[4-[5-[(cyclopropylmethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[4-[6-[(cyclopropylmethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[4-[7-[(cyclopropylmethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[4-[8-[(cyclopropylmethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;bis(N-(2-aminophenyl)-4-[[4-[7-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide) (PubChem CID 159496695) has the molecular formula C170H164N44O8S6 and a molecular weight of 3143.88 g/mol. Its IUPAC name is N-(2-aminophenyl)-4-[[4-[5-[(cyclopropylmethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[4-[6-[(cyclopropylmethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[4-[7-[(cyclopropylmethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[4-[8-[(cyclopropylmethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;bis(N-(2-aminophenyl)-4-[[4-[7-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide).

Molecular Properties

• Compound Name: N-(2-aminophenyl)-4-[[4-[5-[(cyclopropylmethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[4-[6-[(cyclopropylmethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[4-[7-[(cyclopropylmethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[4-[8-[(cyclopropylmethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;bis(N-(2-aminophenyl)-4-[[4-[7-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide)
• PubChem CID: 159496695
• Molecular Formula: C170H164N44O8S6
• Molecular Weight: 3143.88 g/mol
• Exact Mass: 3141.21
• IUPAC Name: N-(2-aminophenyl)-4-[[4-[5-[(cyclopropylmethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[4-[6-[(cyclopropylmethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[4-[7-[(cyclopropylmethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[4-[8-[(cyclopropylmethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;bis(N-(2-aminophenyl)-4-[[4-[7-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide)
• SMILES: CN1CCN(C(=O)c2ccn3c(-c4csc(Nc5ccc(C(=O)Nc6ccccc6N)cc5)n4)cnc3c2)CC1.CN1CCN(C(=O)c2ccn3c(-c4csc(Nc5ccc(C(=O)Nc6ccccc6N)cc5)n4)cnc3c2)CC1.Nc1ccccc1NC(=O)c1ccc(Nc2nc(-c3cnc4c(CNCC5CC5)cccn34)cs2)cc1.Nc1ccccc1NC(=O)c1ccc(Nc2nc(-c3cnc4cc(CNCC5CC5)ccn34)cs2)cc1.Nc1ccccc1NC(=O)c1ccc(Nc2nc(-c3cnc4ccc(CNCC5CC5)cn34)cs2)cc1.Nc1ccccc1NC(=O)c1ccc(Nc2nc(-c3cnc4cccc(CNCC5CC5)n34)cs2)cc1
• InChI: InChI=1S/2C29H28N8O2S.4C28H27N7OS/c2*1-35-12-14-36(15-13-35)28(39)20-10-11-37-25(17-31-26(37)16-20)24-18-40-29(34-24)32-21-8-6-19(7-9-21)27(38)33-23-5-3-2-4-22(23)30;29-22-5-1-2-6-23(22)33-27(36)19-9-11-21(12-10-19)32-28-34-24(17-37-28)25-16-31-26-20(4-3-13-35(25)26)15-30-14-18-7-8-18;29-22-5-1-2-6-23(22)33-27(36)19-10-12-20(13-11-19)32-28-34-24(17-37-28)25-16-31-26-7-3-4-21(35(25)26)15-30-14-18-8-9-18;29-22-3-1-2-4-23(22)33-27(36)20-8-10-21(11-9-20)32-28-34-24(17-37-28)25-15-31-26-12-7-19(16-35(25)26)14-30-13-18-5-6-18;29-22-3-1-2-4-23(22)33-27(36)20-7-9-21(10-8-20)32-28-34-24(17-37-28)25-16-31-26-13-19(11-12-35(25)26)15-30-14-18-5-6-18/h2*2-11,16-18H,12-15,30H2,1H3,(H,32,34)(H,33,38);1-6,9-13,16-18,30H,7-8,14-15,29H2,(H,32,34)(H,33,36);1-7,10-13,16-18,30H,8-9,14-15,29H2,(H,32,34)(H,33,36);1-4,7-12,15-18,30H,5-6,13-14,29H2,(H,32,34)(H,33,36);1-4,7-13,16-18,30H,5-6,14-15,29H2,(H,32,34)(H,33,36)
• InChIKey: LYWHWXYTVVIBJX-UHFFFAOYSA-N
• XLogP: 30.99
• TPSA: 679.26 Ų
• H-Bond Donors: 22
• H-Bond Acceptors: 50
• Rotatable Bonds: 48
• Heavy Atoms: 228
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3143.88
LogP ≤ 5	30.99
H-Bond Donors ≤ 5	22
H-Bond Acceptors ≤ 10	50

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-4-[[4-[5-[(cyclopropylmethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[4-[6-[(cyclopropylmethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[4-[7-[(cyclopropylmethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[4-[8-[(cyclopropylmethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;bis(N-(2-aminophenyl)-4-[[4-[7-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide)?

The IUPAC name of N-(2-aminophenyl)-4-[[4-[5-[(cyclopropylmethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[4-[6-[(cyclopropylmethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[4-[7-[(cyclopropylmethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[4-[8-[(cyclopropylmethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;bis(N-(2-aminophenyl)-4-[[4-[7-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide) (CID 159496695) is N-(2-aminophenyl)-4-[[4-[5-[(cyclopropylmethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[4-[6-[(cyclopropylmethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[4-[7-[(cyclopropylmethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[4-[8-[(cyclopropylmethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;bis(N-(2-aminophenyl)-4-[[4-[7-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide).

What is the SMILES notation for N-(2-aminophenyl)-4-[[4-[5-[(cyclopropylmethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[4-[6-[(cyclopropylmethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[4-[7-[(cyclopropylmethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[4-[8-[(cyclopropylmethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;bis(N-(2-aminophenyl)-4-[[4-[7-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide)?

The canonical SMILES for N-(2-aminophenyl)-4-[[4-[5-[(cyclopropylmethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[4-[6-[(cyclopropylmethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[4-[7-[(cyclopropylmethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[4-[8-[(cyclopropylmethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;bis(N-(2-aminophenyl)-4-[[4-[7-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide) is CN1CCN(C(=O)c2ccn3c(-c4csc(Nc5ccc(C(=O)Nc6ccccc6N)cc5)n4)cnc3c2)CC1.CN1CCN(C(=O)c2ccn3c(-c4csc(Nc5ccc(C(=O)Nc6ccccc6N)cc5)n4)cnc3c2)CC1.Nc1ccccc1NC(=O)c1ccc(Nc2nc(-c3cnc4c(CNCC5CC5)cccn34)cs2)cc1.Nc1ccccc1NC(=O)c1ccc(Nc2nc(-c3cnc4cc(CNCC5CC5)ccn34)cs2)cc1.Nc1ccccc1NC(=O)c1ccc(Nc2nc(-c3cnc4ccc(CNCC5CC5)cn34)cs2)cc1.Nc1ccccc1NC(=O)c1ccc(Nc2nc(-c3cnc4cccc(CNCC5CC5)n34)cs2)cc1.

What is the InChIKey of N-(2-aminophenyl)-4-[[4-[5-[(cyclopropylmethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[4-[6-[(cyclopropylmethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[4-[7-[(cyclopropylmethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[4-[8-[(cyclopropylmethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;bis(N-(2-aminophenyl)-4-[[4-[7-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide)?

The InChIKey is LYWHWXYTVVIBJX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C29H28N8O2S.4C28H27N7OS/c2*1-35-12-14-36(15-13-35)28(39)20-10-11-37-25(17-31-26(37)16-20)24-18-40-29(34-24)32-21-8-6-19(7-9-21)27(38)33-23-5-3-2-4-22(23)30;29-22-5-1-2-6-23(22)33-27(36)19-9-11-21(12-10-19)32-28-34-24(17-37-28)25-16-31-26-20(4-3-13-35(25)26)15-30-14-18-7-8-18;29-22-5-1-2-6-23(22)33-27(36)19-10-12-20(13-11-19)32-28-34-24(17-37-28)25-16-31-26-7-3-4-21(35(25)26)15-30-14-18-8-9-18;29-22-3-1-2-4-23(22)33-27(36)20-8-10-21(11-9-20)32-28-34-24(17-37-28)25-15-31-26-12-7-19(16-35(25)26)14-30-13-18-5-6-18;29-22-3-1-2-4-23(22)33-27(36)20-7-9-21(10-8-20)32-28-34-24(17-37-28)25-16-31-26-13-19(11-12-35(25)26)15-30-14-18-5-6-18/h2*2-11,16-18H,12-15,30H2,1H3,(H,32,34)(H,33,38);1-6,9-13,16-18,30H,7-8,14-15,29H2,(H,32,34)(H,33,36);1-7,10-13,16-18,30H,8-9,14-15,29H2,(H,32,34)(H,33,36);1-4,7-12,15-18,30H,5-6,13-14,29H2,(H,32,34)(H,33,36);1-4,7-13,16-18,30H,5-6,14-15,29H2,(H,32,34)(H,33,36).

What are the key properties of N-(2-aminophenyl)-4-[[4-[5-[(cyclopropylmethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[4-[6-[(cyclopropylmethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[4-[7-[(cyclopropylmethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[4-[8-[(cyclopropylmethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;bis(N-(2-aminophenyl)-4-[[4-[7-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide)?

N-(2-aminophenyl)-4-[[4-[5-[(cyclopropylmethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[4-[6-[(cyclopropylmethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[4-[7-[(cyclopropylmethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[4-[8-[(cyclopropylmethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;bis(N-(2-aminophenyl)-4-[[4-[7-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide) has a molecular weight of 3143.88 g/mol, XLogP of 30.99, 48 rotatable bonds, 22 hydrogen bond donors, and 50 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-aminophenyl)-4-[[4-[5-[(cyclopropylmethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[4-[6-[(cyclopropylmethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[4-[7-[(cyclopropylmethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[4-[8-[(cyclopropylmethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;bis(N-(2-aminophenyl)-4-[[4-[7-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide) is sourced from PubChem (CID 159496695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).