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

C110H92N32O4S4 — CID 158949893

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

bis(N-(4-amino-1-phenylpyrazol-3-yl)-4-[[5-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide);bis(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 158949893) has the molecular formula C110H92N32O4S4 and a molecular weight of 2054.43 g/mol. Its IUPAC name is bis(N-(4-amino-1-phenylpyrazol-3-yl)-4-[[5-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide);bis(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: bis(N-(4-amino-1-phenylpyrazol-3-yl)-4-[[5-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide);bis(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: 158949893
• Molecular Formula: C110H92N32O4S4
• Molecular Weight: 2054.43 g/mol
• Exact Mass: 2052.69
• IUPAC Name: bis(N-(4-amino-1-phenylpyrazol-3-yl)-4-[[5-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide);bis(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.Cc1nc(Nc2ccc(C(=O)Nc3nn(-c4ccccc4)cc3N)cc2)sc1-c1c(C)nc2ccccn12.Cc1nc2ccccn2c1-c1cnc(Nc2ccc(C(=O)Nc3nn(-c4ccccc4)cc3N)cc2)s1.Cc1nc2ccccn2c1-c1cnc(Nc2ccc(C(=O)Nc3nn(-c4ccccc4)cc3N)cc2)s1
• InChI: InChI=1S/2C28H24N8OS.2C27H22N8OS/c2*1-17-24(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;2*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/h2*3-16H,29H2,1-2H3,(H,31,32)(H,33,34,37);2*2-16H,28H2,1H3,(H,29,31)(H,32,33,36)
• InChIKey: JLHGJPKJEYMPQI-UHFFFAOYSA-N
• XLogP: 22.74
• TPSA: 460.64 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 36
• Rotatable Bonds: 24
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2054.43
LogP ≤ 5	22.74
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	36

Frequently Asked Questions

What is the IUPAC name of bis(N-(4-amino-1-phenylpyrazol-3-yl)-4-[[5-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide);bis(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 bis(N-(4-amino-1-phenylpyrazol-3-yl)-4-[[5-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide);bis(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 158949893) is bis(N-(4-amino-1-phenylpyrazol-3-yl)-4-[[5-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide);bis(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 bis(N-(4-amino-1-phenylpyrazol-3-yl)-4-[[5-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide);bis(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 bis(N-(4-amino-1-phenylpyrazol-3-yl)-4-[[5-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide);bis(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.Cc1nc(Nc2ccc(C(=O)Nc3nn(-c4ccccc4)cc3N)cc2)sc1-c1c(C)nc2ccccn12.Cc1nc2ccccn2c1-c1cnc(Nc2ccc(C(=O)Nc3nn(-c4ccccc4)cc3N)cc2)s1.Cc1nc2ccccn2c1-c1cnc(Nc2ccc(C(=O)Nc3nn(-c4ccccc4)cc3N)cc2)s1.

What is the InChIKey of bis(N-(4-amino-1-phenylpyrazol-3-yl)-4-[[5-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide);bis(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 JLHGJPKJEYMPQI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C28H24N8OS.2C27H22N8OS/c2*1-17-24(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;2*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/h2*3-16H,29H2,1-2H3,(H,31,32)(H,33,34,37);2*2-16H,28H2,1H3,(H,29,31)(H,32,33,36).

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

bis(N-(4-amino-1-phenylpyrazol-3-yl)-4-[[5-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide);bis(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 2054.43 g/mol, XLogP of 22.74, 24 rotatable bonds, 12 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for bis(N-(4-amino-1-phenylpyrazol-3-yl)-4-[[5-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide);bis(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 158949893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).