methyl 2-[[[2-ethyl-6-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]imidazo[1,2-a]pyridin-3-yl]amino]methyl]-4-(4-fluorophenyl)-1,3-thiazole-5-carboxylate

C31H36FN5O4S — CID 142772351

About methyl 2-[[[2-ethyl-6-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]imidazo[1,2-a]pyridin-3-yl]amino]methyl]-4-(4-fluorophenyl)-1,3-thiazole-5-carboxylate

methyl 2-[[[2-ethyl-6-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]imidazo[1,2-a]pyridin-3-yl]amino]methyl]-4-(4-fluorophenyl)-1,3-thiazole-5-carboxylate (PubChem CID 142772351) has the molecular formula C31H36FN5O4S and a molecular weight of 593.73 g/mol. Its IUPAC name is methyl 2-[[[2-ethyl-6-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]imidazo[1,2-a]pyridin-3-yl]amino]methyl]-4-(4-fluorophenyl)-1,3-thiazole-5-carboxylate.

Molecular Properties

• Compound Name: methyl 2-[[[2-ethyl-6-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]imidazo[1,2-a]pyridin-3-yl]amino]methyl]-4-(4-fluorophenyl)-1,3-thiazole-5-carboxylate
• PubChem CID: 142772351
• Molecular Formula: C31H36FN5O4S
• Molecular Weight: 593.73 g/mol
• Exact Mass: 593.25
• IUPAC Name: methyl 2-[[[2-ethyl-6-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]imidazo[1,2-a]pyridin-3-yl]amino]methyl]-4-(4-fluorophenyl)-1,3-thiazole-5-carboxylate
• SMILES: CCc1nc2ccc(C3CCN(C(=O)OC(C)(C)C)CC3)cn2c1NCc1nc(-c2ccc(F)cc2)c(C(=O)OC)s1
• InChI: InChI=1S/C31H36FN5O4S/c1-6-23-28(33-17-25-35-26(27(42-25)29(38)40-5)20-7-10-22(32)11-8-20)37-18-21(9-12-24(37)34-23)19-13-15-36(16-14-19)30(39)41-31(2,3)4/h7-12,18-19,33H,6,13-17H2,1-5H3
• InChIKey: DMXKMXBSFCHMDF-UHFFFAOYSA-N
• XLogP: 6.67
• TPSA: 98.06 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	593.73
LogP ≤ 5	6.67
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[[2-ethyl-6-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]imidazo[1,2-a]pyridin-3-yl]amino]methyl]-4-(4-fluorophenyl)-1,3-thiazole-5-carboxylate?

The IUPAC name of methyl 2-[[[2-ethyl-6-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]imidazo[1,2-a]pyridin-3-yl]amino]methyl]-4-(4-fluorophenyl)-1,3-thiazole-5-carboxylate (CID 142772351) is methyl 2-[[[2-ethyl-6-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]imidazo[1,2-a]pyridin-3-yl]amino]methyl]-4-(4-fluorophenyl)-1,3-thiazole-5-carboxylate.

What is the SMILES notation for methyl 2-[[[2-ethyl-6-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]imidazo[1,2-a]pyridin-3-yl]amino]methyl]-4-(4-fluorophenyl)-1,3-thiazole-5-carboxylate?

The canonical SMILES for methyl 2-[[[2-ethyl-6-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]imidazo[1,2-a]pyridin-3-yl]amino]methyl]-4-(4-fluorophenyl)-1,3-thiazole-5-carboxylate is CCc1nc2ccc(C3CCN(C(=O)OC(C)(C)C)CC3)cn2c1NCc1nc(-c2ccc(F)cc2)c(C(=O)OC)s1.

What is the InChIKey of methyl 2-[[[2-ethyl-6-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]imidazo[1,2-a]pyridin-3-yl]amino]methyl]-4-(4-fluorophenyl)-1,3-thiazole-5-carboxylate?

The InChIKey is DMXKMXBSFCHMDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H36FN5O4S/c1-6-23-28(33-17-25-35-26(27(42-25)29(38)40-5)20-7-10-22(32)11-8-20)37-18-21(9-12-24(37)34-23)19-13-15-36(16-14-19)30(39)41-31(2,3)4/h7-12,18-19,33H,6,13-17H2,1-5H3.

What are the key properties of methyl 2-[[[2-ethyl-6-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]imidazo[1,2-a]pyridin-3-yl]amino]methyl]-4-(4-fluorophenyl)-1,3-thiazole-5-carboxylate?

methyl 2-[[[2-ethyl-6-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]imidazo[1,2-a]pyridin-3-yl]amino]methyl]-4-(4-fluorophenyl)-1,3-thiazole-5-carboxylate has a molecular weight of 593.73 g/mol, XLogP of 6.67, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 2-[[[2-ethyl-6-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]imidazo[1,2-a]pyridin-3-yl]amino]methyl]-4-(4-fluorophenyl)-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 142772351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).