tert-butyl 4-[2-(3-amino-3-oxopropyl)-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidine-1-carboxylate;3-[3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-6-piperidin-4-ylimidazo[1,2-a]pyridin-2-yl]propanamide

C55H62F2N12O4S2 — CID 158155732

About tert-butyl 4-[2-(3-amino-3-oxopropyl)-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidine-1-carboxylate;3-[3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-6-piperidin-4-ylimidazo[1,2-a]pyridin-2-yl]propanamide

tert-butyl 4-[2-(3-amino-3-oxopropyl)-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidine-1-carboxylate;3-[3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-6-piperidin-4-ylimidazo[1,2-a]pyridin-2-yl]propanamide (PubChem CID 158155732) has the molecular formula C55H62F2N12O4S2 and a molecular weight of 1057.31 g/mol. Its IUPAC name is tert-butyl 4-[2-(3-amino-3-oxopropyl)-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidine-1-carboxylate;3-[3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-6-piperidin-4-ylimidazo[1,2-a]pyridin-2-yl]propanamide.

Molecular Properties

• Compound Name: tert-butyl 4-[2-(3-amino-3-oxopropyl)-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidine-1-carboxylate;3-[3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-6-piperidin-4-ylimidazo[1,2-a]pyridin-2-yl]propanamide
• PubChem CID: 158155732
• Molecular Formula: C55H62F2N12O4S2
• Molecular Weight: 1057.31 g/mol
• Exact Mass: 1056.44
• IUPAC Name: tert-butyl 4-[2-(3-amino-3-oxopropyl)-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidine-1-carboxylate;3-[3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-6-piperidin-4-ylimidazo[1,2-a]pyridin-2-yl]propanamide
• SMILES: CN(c1nc(-c2ccc(F)cc2)cs1)c1c(CCC(N)=O)nc2ccc(C3CCN(C(=O)OC(C)(C)C)CC3)cn12.CN(c1nc(-c2ccc(F)cc2)cs1)c1c(CCC(N)=O)nc2ccc(C3CCNCC3)cn12
• InChI: InChI=1S/C30H35FN6O3S.C25H27FN6OS/c1-30(2,3)40-29(39)36-15-13-19(14-16-36)21-7-12-26-33-23(10-11-25(32)38)27(37(26)17-21)35(4)28-34-24(18-41-28)20-5-8-22(31)9-6-20;1-31(25-30-21(15-34-25)17-2-5-19(26)6-3-17)24-20(7-8-22(27)33)29-23-9-4-18(14-32(23)24)16-10-12-28-13-11-16/h5-9,12,17-19H,10-11,13-16H2,1-4H3,(H2,32,38);2-6,9,14-16,28H,7-8,10-13H2,1H3,(H2,27,33)
• InChIKey: FVQVSMILOOFIHY-UHFFFAOYSA-N
• XLogP: 10.15
• TPSA: 194.61 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 15
• Rotatable Bonds: 14
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1057.31
LogP ≤ 5	10.15
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-(3-amino-3-oxopropyl)-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidine-1-carboxylate;3-[3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-6-piperidin-4-ylimidazo[1,2-a]pyridin-2-yl]propanamide?

The IUPAC name of tert-butyl 4-[2-(3-amino-3-oxopropyl)-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidine-1-carboxylate;3-[3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-6-piperidin-4-ylimidazo[1,2-a]pyridin-2-yl]propanamide (CID 158155732) is tert-butyl 4-[2-(3-amino-3-oxopropyl)-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidine-1-carboxylate;3-[3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-6-piperidin-4-ylimidazo[1,2-a]pyridin-2-yl]propanamide.

What is the SMILES notation for tert-butyl 4-[2-(3-amino-3-oxopropyl)-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidine-1-carboxylate;3-[3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-6-piperidin-4-ylimidazo[1,2-a]pyridin-2-yl]propanamide?

The canonical SMILES for tert-butyl 4-[2-(3-amino-3-oxopropyl)-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidine-1-carboxylate;3-[3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-6-piperidin-4-ylimidazo[1,2-a]pyridin-2-yl]propanamide is CN(c1nc(-c2ccc(F)cc2)cs1)c1c(CCC(N)=O)nc2ccc(C3CCN(C(=O)OC(C)(C)C)CC3)cn12.CN(c1nc(-c2ccc(F)cc2)cs1)c1c(CCC(N)=O)nc2ccc(C3CCNCC3)cn12.

What is the InChIKey of tert-butyl 4-[2-(3-amino-3-oxopropyl)-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidine-1-carboxylate;3-[3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-6-piperidin-4-ylimidazo[1,2-a]pyridin-2-yl]propanamide?

The InChIKey is FVQVSMILOOFIHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35FN6O3S.C25H27FN6OS/c1-30(2,3)40-29(39)36-15-13-19(14-16-36)21-7-12-26-33-23(10-11-25(32)38)27(37(26)17-21)35(4)28-34-24(18-41-28)20-5-8-22(31)9-6-20;1-31(25-30-21(15-34-25)17-2-5-19(26)6-3-17)24-20(7-8-22(27)33)29-23-9-4-18(14-32(23)24)16-10-12-28-13-11-16/h5-9,12,17-19H,10-11,13-16H2,1-4H3,(H2,32,38);2-6,9,14-16,28H,7-8,10-13H2,1H3,(H2,27,33).

What are the key properties of tert-butyl 4-[2-(3-amino-3-oxopropyl)-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidine-1-carboxylate;3-[3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-6-piperidin-4-ylimidazo[1,2-a]pyridin-2-yl]propanamide?

tert-butyl 4-[2-(3-amino-3-oxopropyl)-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidine-1-carboxylate;3-[3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-6-piperidin-4-ylimidazo[1,2-a]pyridin-2-yl]propanamide has a molecular weight of 1057.31 g/mol, XLogP of 10.15, 14 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 4-[2-(3-amino-3-oxopropyl)-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidine-1-carboxylate;3-[3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-6-piperidin-4-ylimidazo[1,2-a]pyridin-2-yl]propanamide is sourced from PubChem (CID 158155732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).