tert-butyl 4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-7-methylimidazo[1,2-a]pyridin-6-yl]piperidine-1-carboxylate;tert-butyl 4-[2-ethyl-7-methyl-3-(methylamino)imidazo[1,2-a]pyridin-6-yl]piperidine-1-carboxylate;N-(2-ethyl-7-methyl-6-piperidin-4-ylimidazo[1,2-a]pyridin-3-yl)-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine

C76H96F2N14O4S2 — CID 160550249

About tert-butyl 4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-7-methylimidazo[1,2-a]pyridin-6-yl]piperidine-1-carboxylate;tert-butyl 4-[2-ethyl-7-methyl-3-(methylamino)imidazo[1,2-a]pyridin-6-yl]piperidine-1-carboxylate;N-(2-ethyl-7-methyl-6-piperidin-4-ylimidazo[1,2-a]pyridin-3-yl)-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine

tert-butyl 4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-7-methylimidazo[1,2-a]pyridin-6-yl]piperidine-1-carboxylate;tert-butyl 4-[2-ethyl-7-methyl-3-(methylamino)imidazo[1,2-a]pyridin-6-yl]piperidine-1-carboxylate;N-(2-ethyl-7-methyl-6-piperidin-4-ylimidazo[1,2-a]pyridin-3-yl)-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine (PubChem CID 160550249) has the molecular formula C76H96F2N14O4S2 and a molecular weight of 1371.83 g/mol. Its IUPAC name is tert-butyl 4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-7-methylimidazo[1,2-a]pyridin-6-yl]piperidine-1-carboxylate;tert-butyl 4-[2-ethyl-7-methyl-3-(methylamino)imidazo[1,2-a]pyridin-6-yl]piperidine-1-carboxylate;N-(2-ethyl-7-methyl-6-piperidin-4-ylimidazo[1,2-a]pyridin-3-yl)-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine.

Molecular Properties

• Compound Name: tert-butyl 4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-7-methylimidazo[1,2-a]pyridin-6-yl]piperidine-1-carboxylate;tert-butyl 4-[2-ethyl-7-methyl-3-(methylamino)imidazo[1,2-a]pyridin-6-yl]piperidine-1-carboxylate;N-(2-ethyl-7-methyl-6-piperidin-4-ylimidazo[1,2-a]pyridin-3-yl)-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine
• PubChem CID: 160550249
• Molecular Formula: C76H96F2N14O4S2
• Molecular Weight: 1371.83 g/mol
• Exact Mass: 1370.71
• IUPAC Name: tert-butyl 4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-7-methylimidazo[1,2-a]pyridin-6-yl]piperidine-1-carboxylate;tert-butyl 4-[2-ethyl-7-methyl-3-(methylamino)imidazo[1,2-a]pyridin-6-yl]piperidine-1-carboxylate;N-(2-ethyl-7-methyl-6-piperidin-4-ylimidazo[1,2-a]pyridin-3-yl)-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine
• SMILES: CCc1nc2cc(C)c(C3CCN(C(=O)OC(C)(C)C)CC3)cn2c1N(C)c1nc(-c2ccc(F)cc2)cs1.CCc1nc2cc(C)c(C3CCN(C(=O)OC(C)(C)C)CC3)cn2c1NC.CCc1nc2cc(C)c(C3CCNCC3)cn2c1N(C)c1nc(-c2ccc(F)cc2)cs1
• InChI: InChI=1S/C30H36FN5O2S.C25H28FN5S.C21H32N4O2/c1-7-24-27(34(6)28-33-25(18-39-28)21-8-10-22(31)11-9-21)36-17-23(19(2)16-26(36)32-24)20-12-14-35(15-13-20)29(37)38-30(3,4)5;1-4-21-24(30(3)25-29-22(15-32-25)18-5-7-19(26)8-6-18)31-14-20(16(2)13-23(31)28-21)17-9-11-27-12-10-17;1-7-17-19(22-6)25-13-16(14(2)12-18(25)23-17)15-8-10-24(11-9-15)20(26)27-21(3,4)5/h8-11,16-18,20H,7,12-15H2,1-6H3;5-8,13-15,17,27H,4,9-12H2,1-3H3;12-13,15,22H,7-11H2,1-6H3
• InChIKey: QXYUZLPNPSPQNN-UHFFFAOYSA-N
• XLogP: 17.41
• TPSA: 167.30 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 18
• Rotatable Bonds: 13
• Heavy Atoms: 98
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1371.83
LogP ≤ 5	17.41
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-7-methylimidazo[1,2-a]pyridin-6-yl]piperidine-1-carboxylate;tert-butyl 4-[2-ethyl-7-methyl-3-(methylamino)imidazo[1,2-a]pyridin-6-yl]piperidine-1-carboxylate;N-(2-ethyl-7-methyl-6-piperidin-4-ylimidazo[1,2-a]pyridin-3-yl)-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine?

The IUPAC name of tert-butyl 4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-7-methylimidazo[1,2-a]pyridin-6-yl]piperidine-1-carboxylate;tert-butyl 4-[2-ethyl-7-methyl-3-(methylamino)imidazo[1,2-a]pyridin-6-yl]piperidine-1-carboxylate;N-(2-ethyl-7-methyl-6-piperidin-4-ylimidazo[1,2-a]pyridin-3-yl)-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine (CID 160550249) is tert-butyl 4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-7-methylimidazo[1,2-a]pyridin-6-yl]piperidine-1-carboxylate;tert-butyl 4-[2-ethyl-7-methyl-3-(methylamino)imidazo[1,2-a]pyridin-6-yl]piperidine-1-carboxylate;N-(2-ethyl-7-methyl-6-piperidin-4-ylimidazo[1,2-a]pyridin-3-yl)-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine.

What is the SMILES notation for tert-butyl 4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-7-methylimidazo[1,2-a]pyridin-6-yl]piperidine-1-carboxylate;tert-butyl 4-[2-ethyl-7-methyl-3-(methylamino)imidazo[1,2-a]pyridin-6-yl]piperidine-1-carboxylate;N-(2-ethyl-7-methyl-6-piperidin-4-ylimidazo[1,2-a]pyridin-3-yl)-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine?

The canonical SMILES for tert-butyl 4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-7-methylimidazo[1,2-a]pyridin-6-yl]piperidine-1-carboxylate;tert-butyl 4-[2-ethyl-7-methyl-3-(methylamino)imidazo[1,2-a]pyridin-6-yl]piperidine-1-carboxylate;N-(2-ethyl-7-methyl-6-piperidin-4-ylimidazo[1,2-a]pyridin-3-yl)-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine is CCc1nc2cc(C)c(C3CCN(C(=O)OC(C)(C)C)CC3)cn2c1N(C)c1nc(-c2ccc(F)cc2)cs1.CCc1nc2cc(C)c(C3CCN(C(=O)OC(C)(C)C)CC3)cn2c1NC.CCc1nc2cc(C)c(C3CCNCC3)cn2c1N(C)c1nc(-c2ccc(F)cc2)cs1.

What is the InChIKey of tert-butyl 4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-7-methylimidazo[1,2-a]pyridin-6-yl]piperidine-1-carboxylate;tert-butyl 4-[2-ethyl-7-methyl-3-(methylamino)imidazo[1,2-a]pyridin-6-yl]piperidine-1-carboxylate;N-(2-ethyl-7-methyl-6-piperidin-4-ylimidazo[1,2-a]pyridin-3-yl)-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine?

The InChIKey is QXYUZLPNPSPQNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36FN5O2S.C25H28FN5S.C21H32N4O2/c1-7-24-27(34(6)28-33-25(18-39-28)21-8-10-22(31)11-9-21)36-17-23(19(2)16-26(36)32-24)20-12-14-35(15-13-20)29(37)38-30(3,4)5;1-4-21-24(30(3)25-29-22(15-32-25)18-5-7-19(26)8-6-18)31-14-20(16(2)13-23(31)28-21)17-9-11-27-12-10-17;1-7-17-19(22-6)25-13-16(14(2)12-18(25)23-17)15-8-10-24(11-9-15)20(26)27-21(3,4)5/h8-11,16-18,20H,7,12-15H2,1-6H3;5-8,13-15,17,27H,4,9-12H2,1-3H3;12-13,15,22H,7-11H2,1-6H3.

What are the key properties of tert-butyl 4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-7-methylimidazo[1,2-a]pyridin-6-yl]piperidine-1-carboxylate;tert-butyl 4-[2-ethyl-7-methyl-3-(methylamino)imidazo[1,2-a]pyridin-6-yl]piperidine-1-carboxylate;N-(2-ethyl-7-methyl-6-piperidin-4-ylimidazo[1,2-a]pyridin-3-yl)-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine?

tert-butyl 4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-7-methylimidazo[1,2-a]pyridin-6-yl]piperidine-1-carboxylate;tert-butyl 4-[2-ethyl-7-methyl-3-(methylamino)imidazo[1,2-a]pyridin-6-yl]piperidine-1-carboxylate;N-(2-ethyl-7-methyl-6-piperidin-4-ylimidazo[1,2-a]pyridin-3-yl)-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine has a molecular weight of 1371.83 g/mol, XLogP of 17.41, 13 rotatable bonds, 2 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-7-methylimidazo[1,2-a]pyridin-6-yl]piperidine-1-carboxylate;tert-butyl 4-[2-ethyl-7-methyl-3-(methylamino)imidazo[1,2-a]pyridin-6-yl]piperidine-1-carboxylate;N-(2-ethyl-7-methyl-6-piperidin-4-ylimidazo[1,2-a]pyridin-3-yl)-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 160550249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).