N-(4-amino-1-phenylpyrazol-3-yl)-4-[[5-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide;N-(4-amino-1-phenylpyrazol-3-yl)-4-[[4-methyl-5-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide

C55H46N16O2S2 — CID 159510188

About N-(4-amino-1-phenylpyrazol-3-yl)-4-[[5-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide;N-(4-amino-1-phenylpyrazol-3-yl)-4-[[4-methyl-5-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide

N-(4-amino-1-phenylpyrazol-3-yl)-4-[[5-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide;N-(4-amino-1-phenylpyrazol-3-yl)-4-[[4-methyl-5-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide (PubChem CID 159510188) has the molecular formula C55H46N16O2S2 and a molecular weight of 1027.22 g/mol. Its IUPAC name is N-(4-amino-1-phenylpyrazol-3-yl)-4-[[5-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide;N-(4-amino-1-phenylpyrazol-3-yl)-4-[[4-methyl-5-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide.

Molecular Properties

• Compound Name: N-(4-amino-1-phenylpyrazol-3-yl)-4-[[5-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide;N-(4-amino-1-phenylpyrazol-3-yl)-4-[[4-methyl-5-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide
• PubChem CID: 159510188
• Molecular Formula: C55H46N16O2S2
• Molecular Weight: 1027.22 g/mol
• Exact Mass: 1026.34
• IUPAC Name: N-(4-amino-1-phenylpyrazol-3-yl)-4-[[5-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide;N-(4-amino-1-phenylpyrazol-3-yl)-4-[[4-methyl-5-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide
• SMILES: Cc1nc(Nc2ccc(C(=O)Nc3nn(-c4ccccc4)cc3N)cc2)sc1-c1c(C)nc2ccccn12.Cc1nc2ccccn2c1-c1cnc(Nc2ccc(C(=O)Nc3nn(-c4ccccc4)cc3N)cc2)s1
• InChI: InChI=1S/C28H24N8OS.C27H22N8OS/c1-17-24(35-15-7-6-10-23(35)30-17)25-18(2)31-28(38-25)32-20-13-11-19(12-14-20)27(37)33-26-22(29)16-36(34-26)21-8-4-3-5-9-21;1-17-24(34-14-6-5-9-23(34)30-17)22-15-29-27(37-22)31-19-12-10-18(11-13-19)26(36)32-25-21(28)16-35(33-25)20-7-3-2-4-8-20/h3-16H,29H2,1-2H3,(H,31,32)(H,33,34,37);2-16H,28H2,1H3,(H,29,31)(H,32,33,36)
• InChIKey: MAMNQWUXYXRJMG-UHFFFAOYSA-N
• XLogP: 11.37
• TPSA: 230.32 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 18
• Rotatable Bonds: 12
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1027.22
LogP ≤ 5	11.37
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-1-phenylpyrazol-3-yl)-4-[[5-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide;N-(4-amino-1-phenylpyrazol-3-yl)-4-[[4-methyl-5-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide?

The IUPAC name of N-(4-amino-1-phenylpyrazol-3-yl)-4-[[5-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide;N-(4-amino-1-phenylpyrazol-3-yl)-4-[[4-methyl-5-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide (CID 159510188) is N-(4-amino-1-phenylpyrazol-3-yl)-4-[[5-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide;N-(4-amino-1-phenylpyrazol-3-yl)-4-[[4-methyl-5-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide.

What is the SMILES notation for N-(4-amino-1-phenylpyrazol-3-yl)-4-[[5-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide;N-(4-amino-1-phenylpyrazol-3-yl)-4-[[4-methyl-5-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide?

The canonical SMILES for N-(4-amino-1-phenylpyrazol-3-yl)-4-[[5-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide;N-(4-amino-1-phenylpyrazol-3-yl)-4-[[4-methyl-5-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide is Cc1nc(Nc2ccc(C(=O)Nc3nn(-c4ccccc4)cc3N)cc2)sc1-c1c(C)nc2ccccn12.Cc1nc2ccccn2c1-c1cnc(Nc2ccc(C(=O)Nc3nn(-c4ccccc4)cc3N)cc2)s1.

What is the InChIKey of N-(4-amino-1-phenylpyrazol-3-yl)-4-[[5-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide;N-(4-amino-1-phenylpyrazol-3-yl)-4-[[4-methyl-5-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide?

The InChIKey is MAMNQWUXYXRJMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N8OS.C27H22N8OS/c1-17-24(35-15-7-6-10-23(35)30-17)25-18(2)31-28(38-25)32-20-13-11-19(12-14-20)27(37)33-26-22(29)16-36(34-26)21-8-4-3-5-9-21;1-17-24(34-14-6-5-9-23(34)30-17)22-15-29-27(37-22)31-19-12-10-18(11-13-19)26(36)32-25-21(28)16-35(33-25)20-7-3-2-4-8-20/h3-16H,29H2,1-2H3,(H,31,32)(H,33,34,37);2-16H,28H2,1H3,(H,29,31)(H,32,33,36).

What are the key properties of N-(4-amino-1-phenylpyrazol-3-yl)-4-[[5-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide;N-(4-amino-1-phenylpyrazol-3-yl)-4-[[4-methyl-5-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide?

N-(4-amino-1-phenylpyrazol-3-yl)-4-[[5-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide;N-(4-amino-1-phenylpyrazol-3-yl)-4-[[4-methyl-5-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide has a molecular weight of 1027.22 g/mol, XLogP of 11.37, 12 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-amino-1-phenylpyrazol-3-yl)-4-[[5-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide;N-(4-amino-1-phenylpyrazol-3-yl)-4-[[4-methyl-5-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide is sourced from PubChem (CID 159510188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).