N-[(2S)-1-[4-(2-tert-butyl-1-methylimidazol-4-yl)-2-fluorophenyl]-4-hydroxybutan-2-yl]-3-chloro-4-propan-2-yloxybenzamide;3-chloro-N-[(2S)-1-hydroxy-3-[5-(8-methylimidazo[1,2-a]pyridin-2-yl)-2-pyridinyl]propan-2-yl]-4-propan-2-yloxybenzamide;3-chloro-N-[(2S)-1-hydroxy-3-[5-(8-methylimidazo[1,2-a]pyridin-2-yl)thiophen-2-yl]propan-2-yl]-4-propan-2-yloxybenzamide

C79H88Cl3FN10O9S — CID 89499605

About N-[(2S)-1-[4-(2-tert-butyl-1-methylimidazol-4-yl)-2-fluorophenyl]-4-hydroxybutan-2-yl]-3-chloro-4-propan-2-yloxybenzamide;3-chloro-N-[(2S)-1-hydroxy-3-[5-(8-methylimidazo[1,2-a]pyridin-2-yl)-2-pyridinyl]propan-2-yl]-4-propan-2-yloxybenzamide;3-chloro-N-[(2S)-1-hydroxy-3-[5-(8-methylimidazo[1,2-a]pyridin-2-yl)thiophen-2-yl]propan-2-yl]-4-propan-2-yloxybenzamide

N-[(2S)-1-[4-(2-tert-butyl-1-methylimidazol-4-yl)-2-fluorophenyl]-4-hydroxybutan-2-yl]-3-chloro-4-propan-2-yloxybenzamide;3-chloro-N-[(2S)-1-hydroxy-3-[5-(8-methylimidazo[1,2-a]pyridin-2-yl)-2-pyridinyl]propan-2-yl]-4-propan-2-yloxybenzamide;3-chloro-N-[(2S)-1-hydroxy-3-[5-(8-methylimidazo[1,2-a]pyridin-2-yl)thiophen-2-yl]propan-2-yl]-4-propan-2-yloxybenzamide (PubChem CID 89499605) has the molecular formula C79H88Cl3FN10O9S and a molecular weight of 1479.06 g/mol. Its IUPAC name is N-[(2S)-1-[4-(2-tert-butyl-1-methylimidazol-4-yl)-2-fluorophenyl]-4-hydroxybutan-2-yl]-3-chloro-4-propan-2-yloxybenzamide;3-chloro-N-[(2S)-1-hydroxy-3-[5-(8-methylimidazo[1,2-a]pyridin-2-yl)-2-pyridinyl]propan-2-yl]-4-propan-2-yloxybenzamide;3-chloro-N-[(2S)-1-hydroxy-3-[5-(8-methylimidazo[1,2-a]pyridin-2-yl)thiophen-2-yl]propan-2-yl]-4-propan-2-yloxybenzamide.

Molecular Properties

• Compound Name: N-[(2S)-1-[4-(2-tert-butyl-1-methylimidazol-4-yl)-2-fluorophenyl]-4-hydroxybutan-2-yl]-3-chloro-4-propan-2-yloxybenzamide;3-chloro-N-[(2S)-1-hydroxy-3-[5-(8-methylimidazo[1,2-a]pyridin-2-yl)-2-pyridinyl]propan-2-yl]-4-propan-2-yloxybenzamide;3-chloro-N-[(2S)-1-hydroxy-3-[5-(8-methylimidazo[1,2-a]pyridin-2-yl)thiophen-2-yl]propan-2-yl]-4-propan-2-yloxybenzamide
• PubChem CID: 89499605
• Molecular Formula: C79H88Cl3FN10O9S
• Molecular Weight: 1479.06 g/mol
• Exact Mass: 1476.55
• IUPAC Name: N-[(2S)-1-[4-(2-tert-butyl-1-methylimidazol-4-yl)-2-fluorophenyl]-4-hydroxybutan-2-yl]-3-chloro-4-propan-2-yloxybenzamide;3-chloro-N-[(2S)-1-hydroxy-3-[5-(8-methylimidazo[1,2-a]pyridin-2-yl)-2-pyridinyl]propan-2-yl]-4-propan-2-yloxybenzamide;3-chloro-N-[(2S)-1-hydroxy-3-[5-(8-methylimidazo[1,2-a]pyridin-2-yl)thiophen-2-yl]propan-2-yl]-4-propan-2-yloxybenzamide
• SMILES: CC(C)Oc1ccc(C(=O)N[C@H](CCO)Cc2ccc(-c3cn(C)c(C(C)(C)C)n3)cc2F)cc1Cl.Cc1cccn2cc(-c3ccc(C[C@@H](CO)NC(=O)c4ccc(OC(C)C)c(Cl)c4)nc3)nc12.Cc1cccn2cc(-c3ccc(C[C@@H](CO)NC(=O)c4ccc(OC(C)C)c(Cl)c4)s3)nc12
• InChI: InChI=1S/C28H35ClFN3O3.C26H27ClN4O3.C25H26ClN3O3S/c1-17(2)36-25-10-9-20(14-22(25)29)26(35)31-21(11-12-34)13-18-7-8-19(15-23(18)30)24-16-33(6)27(32-24)28(3,4)5;1-16(2)34-24-9-7-18(11-22(24)27)26(33)29-21(15-32)12-20-8-6-19(13-28-20)23-14-31-10-4-5-17(3)25(31)30-23;1-15(2)32-22-8-6-17(11-20(22)26)25(31)27-18(14-30)12-19-7-9-23(33-19)21-13-29-10-4-5-16(3)24(29)28-21/h7-10,14-17,21,34H,11-13H2,1-6H3,(H,31,35);4-11,13-14,16,21,32H,12,15H2,1-3H3,(H,29,33);4-11,13,15,18,30H,12,14H2,1-3H3,(H,27,31)/t2*21-;18-/m100/s1
• InChIKey: PPNAIHSXLOLWKK-FFXGHVTISA-N
• XLogP: 15.31
• TPSA: 240.99 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 17
• Rotatable Bonds: 25
• Heavy Atoms: 103
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1479.06
LogP ≤ 5	15.31
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[4-(2-tert-butyl-1-methylimidazol-4-yl)-2-fluorophenyl]-4-hydroxybutan-2-yl]-3-chloro-4-propan-2-yloxybenzamide;3-chloro-N-[(2S)-1-hydroxy-3-[5-(8-methylimidazo[1,2-a]pyridin-2-yl)-2-pyridinyl]propan-2-yl]-4-propan-2-yloxybenzamide;3-chloro-N-[(2S)-1-hydroxy-3-[5-(8-methylimidazo[1,2-a]pyridin-2-yl)thiophen-2-yl]propan-2-yl]-4-propan-2-yloxybenzamide?

The IUPAC name of N-[(2S)-1-[4-(2-tert-butyl-1-methylimidazol-4-yl)-2-fluorophenyl]-4-hydroxybutan-2-yl]-3-chloro-4-propan-2-yloxybenzamide;3-chloro-N-[(2S)-1-hydroxy-3-[5-(8-methylimidazo[1,2-a]pyridin-2-yl)-2-pyridinyl]propan-2-yl]-4-propan-2-yloxybenzamide;3-chloro-N-[(2S)-1-hydroxy-3-[5-(8-methylimidazo[1,2-a]pyridin-2-yl)thiophen-2-yl]propan-2-yl]-4-propan-2-yloxybenzamide (CID 89499605) is N-[(2S)-1-[4-(2-tert-butyl-1-methylimidazol-4-yl)-2-fluorophenyl]-4-hydroxybutan-2-yl]-3-chloro-4-propan-2-yloxybenzamide;3-chloro-N-[(2S)-1-hydroxy-3-[5-(8-methylimidazo[1,2-a]pyridin-2-yl)-2-pyridinyl]propan-2-yl]-4-propan-2-yloxybenzamide;3-chloro-N-[(2S)-1-hydroxy-3-[5-(8-methylimidazo[1,2-a]pyridin-2-yl)thiophen-2-yl]propan-2-yl]-4-propan-2-yloxybenzamide.

What is the SMILES notation for N-[(2S)-1-[4-(2-tert-butyl-1-methylimidazol-4-yl)-2-fluorophenyl]-4-hydroxybutan-2-yl]-3-chloro-4-propan-2-yloxybenzamide;3-chloro-N-[(2S)-1-hydroxy-3-[5-(8-methylimidazo[1,2-a]pyridin-2-yl)-2-pyridinyl]propan-2-yl]-4-propan-2-yloxybenzamide;3-chloro-N-[(2S)-1-hydroxy-3-[5-(8-methylimidazo[1,2-a]pyridin-2-yl)thiophen-2-yl]propan-2-yl]-4-propan-2-yloxybenzamide?

The canonical SMILES for N-[(2S)-1-[4-(2-tert-butyl-1-methylimidazol-4-yl)-2-fluorophenyl]-4-hydroxybutan-2-yl]-3-chloro-4-propan-2-yloxybenzamide;3-chloro-N-[(2S)-1-hydroxy-3-[5-(8-methylimidazo[1,2-a]pyridin-2-yl)-2-pyridinyl]propan-2-yl]-4-propan-2-yloxybenzamide;3-chloro-N-[(2S)-1-hydroxy-3-[5-(8-methylimidazo[1,2-a]pyridin-2-yl)thiophen-2-yl]propan-2-yl]-4-propan-2-yloxybenzamide is CC(C)Oc1ccc(C(=O)N[C@H](CCO)Cc2ccc(-c3cn(C)c(C(C)(C)C)n3)cc2F)cc1Cl.Cc1cccn2cc(-c3ccc(C[C@@H](CO)NC(=O)c4ccc(OC(C)C)c(Cl)c4)nc3)nc12.Cc1cccn2cc(-c3ccc(C[C@@H](CO)NC(=O)c4ccc(OC(C)C)c(Cl)c4)s3)nc12.

What is the InChIKey of N-[(2S)-1-[4-(2-tert-butyl-1-methylimidazol-4-yl)-2-fluorophenyl]-4-hydroxybutan-2-yl]-3-chloro-4-propan-2-yloxybenzamide;3-chloro-N-[(2S)-1-hydroxy-3-[5-(8-methylimidazo[1,2-a]pyridin-2-yl)-2-pyridinyl]propan-2-yl]-4-propan-2-yloxybenzamide;3-chloro-N-[(2S)-1-hydroxy-3-[5-(8-methylimidazo[1,2-a]pyridin-2-yl)thiophen-2-yl]propan-2-yl]-4-propan-2-yloxybenzamide?

The InChIKey is PPNAIHSXLOLWKK-FFXGHVTISA-N. The full InChI is InChI=1S/C28H35ClFN3O3.C26H27ClN4O3.C25H26ClN3O3S/c1-17(2)36-25-10-9-20(14-22(25)29)26(35)31-21(11-12-34)13-18-7-8-19(15-23(18)30)24-16-33(6)27(32-24)28(3,4)5;1-16(2)34-24-9-7-18(11-22(24)27)26(33)29-21(15-32)12-20-8-6-19(13-28-20)23-14-31-10-4-5-17(3)25(31)30-23;1-15(2)32-22-8-6-17(11-20(22)26)25(31)27-18(14-30)12-19-7-9-23(33-19)21-13-29-10-4-5-16(3)24(29)28-21/h7-10,14-17,21,34H,11-13H2,1-6H3,(H,31,35);4-11,13-14,16,21,32H,12,15H2,1-3H3,(H,29,33);4-11,13,15,18,30H,12,14H2,1-3H3,(H,27,31)/t2*21-;18-/m100/s1.

What are the key properties of N-[(2S)-1-[4-(2-tert-butyl-1-methylimidazol-4-yl)-2-fluorophenyl]-4-hydroxybutan-2-yl]-3-chloro-4-propan-2-yloxybenzamide;3-chloro-N-[(2S)-1-hydroxy-3-[5-(8-methylimidazo[1,2-a]pyridin-2-yl)-2-pyridinyl]propan-2-yl]-4-propan-2-yloxybenzamide;3-chloro-N-[(2S)-1-hydroxy-3-[5-(8-methylimidazo[1,2-a]pyridin-2-yl)thiophen-2-yl]propan-2-yl]-4-propan-2-yloxybenzamide?

N-[(2S)-1-[4-(2-tert-butyl-1-methylimidazol-4-yl)-2-fluorophenyl]-4-hydroxybutan-2-yl]-3-chloro-4-propan-2-yloxybenzamide;3-chloro-N-[(2S)-1-hydroxy-3-[5-(8-methylimidazo[1,2-a]pyridin-2-yl)-2-pyridinyl]propan-2-yl]-4-propan-2-yloxybenzamide;3-chloro-N-[(2S)-1-hydroxy-3-[5-(8-methylimidazo[1,2-a]pyridin-2-yl)thiophen-2-yl]propan-2-yl]-4-propan-2-yloxybenzamide has a molecular weight of 1479.06 g/mol, XLogP of 15.31, 25 rotatable bonds, 6 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-1-[4-(2-tert-butyl-1-methylimidazol-4-yl)-2-fluorophenyl]-4-hydroxybutan-2-yl]-3-chloro-4-propan-2-yloxybenzamide;3-chloro-N-[(2S)-1-hydroxy-3-[5-(8-methylimidazo[1,2-a]pyridin-2-yl)-2-pyridinyl]propan-2-yl]-4-propan-2-yloxybenzamide;3-chloro-N-[(2S)-1-hydroxy-3-[5-(8-methylimidazo[1,2-a]pyridin-2-yl)thiophen-2-yl]propan-2-yl]-4-propan-2-yloxybenzamide is sourced from PubChem (CID 89499605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).