4-[8-[4-(2-cyclohexylacetyl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;4-[8-[4-[2-(1,2,2,6,6-pentamethylpiperidin-4-yl)acetyl]anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;4-[[5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]-N-pyrrolidin-3-ylbenzenesulfonamide

C76H82N16O6S — CID 157368399

About 4-[8-[4-(2-cyclohexylacetyl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;4-[8-[4-[2-(1,2,2,6,6-pentamethylpiperidin-4-yl)acetyl]anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;4-[[5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]-N-pyrrolidin-3-ylbenzenesulfonamide

4-[8-[4-(2-cyclohexylacetyl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;4-[8-[4-[2-(1,2,2,6,6-pentamethylpiperidin-4-yl)acetyl]anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;4-[[5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]-N-pyrrolidin-3-ylbenzenesulfonamide (PubChem CID 157368399) has the molecular formula C76H82N16O6S and a molecular weight of 1347.66 g/mol. Its IUPAC name is 4-[8-[4-(2-cyclohexylacetyl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;4-[8-[4-[2-(1,2,2,6,6-pentamethylpiperidin-4-yl)acetyl]anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;4-[[5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]-N-pyrrolidin-3-ylbenzenesulfonamide.

Molecular Properties

• Compound Name: 4-[8-[4-(2-cyclohexylacetyl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;4-[8-[4-[2-(1,2,2,6,6-pentamethylpiperidin-4-yl)acetyl]anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;4-[[5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]-N-pyrrolidin-3-ylbenzenesulfonamide
• PubChem CID: 157368399
• Molecular Formula: C76H82N16O6S
• Molecular Weight: 1347.66 g/mol
• Exact Mass: 1346.63
• IUPAC Name: 4-[8-[4-(2-cyclohexylacetyl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;4-[8-[4-[2-(1,2,2,6,6-pentamethylpiperidin-4-yl)acetyl]anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;4-[[5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]-N-pyrrolidin-3-ylbenzenesulfonamide
• SMILES: CN1C(C)(C)CC(CC(=O)c2ccc(Nc3ccc(-c4cc[nH]c(=O)c4)n4ccnc34)cc2)CC1(C)C.O=C(CC1CCCCC1)c1ccc(Nc2ccc(-c3cc[nH]c(=O)c3)n3ccnc23)cc1.O=S(=O)(NC1CCNC1)c1ccc(Nc2ccc(-c3cn[nH]c3)n3ccnc23)cc1
• InChI: InChI=1S/C30H35N5O2.C26H26N4O2.C20H21N7O2S/c1-29(2)18-20(19-30(3,4)34(29)5)16-26(36)21-6-8-23(9-7-21)33-24-10-11-25(35-15-14-32-28(24)35)22-12-13-31-27(37)17-22;31-24(16-18-4-2-1-3-5-18)19-6-8-21(9-7-19)29-22-10-11-23(30-15-14-28-26(22)30)20-12-13-27-25(32)17-20;28-30(29,26-16-7-8-21-13-16)17-3-1-15(2-4-17)25-18-5-6-19(14-11-23-24-12-14)27-10-9-22-20(18)27/h6-15,17,20,33H,16,18-19H2,1-5H3,(H,31,37);6-15,17-18,29H,1-5,16H2,(H,27,32);1-6,9-12,16,21,25-26H,7-8,13H2,(H,23,24)
• InChIKey: BJLPHEVVQKTDBG-UHFFFAOYSA-N
• XLogP: 13.60
• TPSA: 277.97 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 18
• Rotatable Bonds: 18
• Heavy Atoms: 99
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1347.66
LogP ≤ 5	13.60
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of 4-[8-[4-(2-cyclohexylacetyl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;4-[8-[4-[2-(1,2,2,6,6-pentamethylpiperidin-4-yl)acetyl]anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;4-[[5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]-N-pyrrolidin-3-ylbenzenesulfonamide?

The IUPAC name of 4-[8-[4-(2-cyclohexylacetyl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;4-[8-[4-[2-(1,2,2,6,6-pentamethylpiperidin-4-yl)acetyl]anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;4-[[5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]-N-pyrrolidin-3-ylbenzenesulfonamide (CID 157368399) is 4-[8-[4-(2-cyclohexylacetyl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;4-[8-[4-[2-(1,2,2,6,6-pentamethylpiperidin-4-yl)acetyl]anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;4-[[5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]-N-pyrrolidin-3-ylbenzenesulfonamide.

What is the SMILES notation for 4-[8-[4-(2-cyclohexylacetyl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;4-[8-[4-[2-(1,2,2,6,6-pentamethylpiperidin-4-yl)acetyl]anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;4-[[5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]-N-pyrrolidin-3-ylbenzenesulfonamide?

The canonical SMILES for 4-[8-[4-(2-cyclohexylacetyl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;4-[8-[4-[2-(1,2,2,6,6-pentamethylpiperidin-4-yl)acetyl]anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;4-[[5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]-N-pyrrolidin-3-ylbenzenesulfonamide is CN1C(C)(C)CC(CC(=O)c2ccc(Nc3ccc(-c4cc[nH]c(=O)c4)n4ccnc34)cc2)CC1(C)C.O=C(CC1CCCCC1)c1ccc(Nc2ccc(-c3cc[nH]c(=O)c3)n3ccnc23)cc1.O=S(=O)(NC1CCNC1)c1ccc(Nc2ccc(-c3cn[nH]c3)n3ccnc23)cc1.

What is the InChIKey of 4-[8-[4-(2-cyclohexylacetyl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;4-[8-[4-[2-(1,2,2,6,6-pentamethylpiperidin-4-yl)acetyl]anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;4-[[5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]-N-pyrrolidin-3-ylbenzenesulfonamide?

The InChIKey is BJLPHEVVQKTDBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35N5O2.C26H26N4O2.C20H21N7O2S/c1-29(2)18-20(19-30(3,4)34(29)5)16-26(36)21-6-8-23(9-7-21)33-24-10-11-25(35-15-14-32-28(24)35)22-12-13-31-27(37)17-22;31-24(16-18-4-2-1-3-5-18)19-6-8-21(9-7-19)29-22-10-11-23(30-15-14-28-26(22)30)20-12-13-27-25(32)17-20;28-30(29,26-16-7-8-21-13-16)17-3-1-15(2-4-17)25-18-5-6-19(14-11-23-24-12-14)27-10-9-22-20(18)27/h6-15,17,20,33H,16,18-19H2,1-5H3,(H,31,37);6-15,17-18,29H,1-5,16H2,(H,27,32);1-6,9-12,16,21,25-26H,7-8,13H2,(H,23,24).

What are the key properties of 4-[8-[4-(2-cyclohexylacetyl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;4-[8-[4-[2-(1,2,2,6,6-pentamethylpiperidin-4-yl)acetyl]anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;4-[[5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]-N-pyrrolidin-3-ylbenzenesulfonamide?

4-[8-[4-(2-cyclohexylacetyl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;4-[8-[4-[2-(1,2,2,6,6-pentamethylpiperidin-4-yl)acetyl]anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;4-[[5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]-N-pyrrolidin-3-ylbenzenesulfonamide has a molecular weight of 1347.66 g/mol, XLogP of 13.60, 18 rotatable bonds, 8 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[8-[4-(2-cyclohexylacetyl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;4-[8-[4-[2-(1,2,2,6,6-pentamethylpiperidin-4-yl)acetyl]anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;4-[[5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]-N-pyrrolidin-3-ylbenzenesulfonamide is sourced from PubChem (CID 157368399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).