N-[(1R)-2-amino-1-phenylethyl]-3-[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]propanamide;N-[(1R)-2-(1,3-dioxoisoindol-2-yl)-1-phenylethyl]-3-[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]propanamide

C58H50F6N10O6 — CID 160957224

About N-[(1R)-2-amino-1-phenylethyl]-3-[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]propanamide;N-[(1R)-2-(1,3-dioxoisoindol-2-yl)-1-phenylethyl]-3-[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]propanamide

N-[(1R)-2-amino-1-phenylethyl]-3-[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]propanamide;N-[(1R)-2-(1,3-dioxoisoindol-2-yl)-1-phenylethyl]-3-[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]propanamide (PubChem CID 160957224) has the molecular formula C58H50F6N10O6 and a molecular weight of 1097.09 g/mol. Its IUPAC name is N-[(1R)-2-amino-1-phenylethyl]-3-[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]propanamide;N-[(1R)-2-(1,3-dioxoisoindol-2-yl)-1-phenylethyl]-3-[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]propanamide.

Molecular Properties

• Compound Name: N-[(1R)-2-amino-1-phenylethyl]-3-[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]propanamide;N-[(1R)-2-(1,3-dioxoisoindol-2-yl)-1-phenylethyl]-3-[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]propanamide
• PubChem CID: 160957224
• Molecular Formula: C58H50F6N10O6
• Molecular Weight: 1097.09 g/mol
• Exact Mass: 1096.38
• IUPAC Name: N-[(1R)-2-amino-1-phenylethyl]-3-[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]propanamide;N-[(1R)-2-(1,3-dioxoisoindol-2-yl)-1-phenylethyl]-3-[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]propanamide
• SMILES: NC[C@H](NC(=O)CCc1nc2cccnc2n1Cc1ccc(OC(F)(F)F)cc1)c1ccccc1.O=C(CCc1nc2cccnc2n1Cc1ccc(OC(F)(F)F)cc1)N[C@@H](CN1C(=O)c2ccccc2C1=O)c1ccccc1
• InChI: InChI=1S/C33H26F3N5O4.C25H24F3N5O2/c34-33(35,36)45-23-14-12-21(13-15-23)19-40-28(38-26-11-6-18-37-30(26)40)16-17-29(42)39-27(22-7-2-1-3-8-22)20-41-31(43)24-9-4-5-10-25(24)32(41)44;26-25(27,28)35-19-10-8-17(9-11-19)16-33-22(31-20-7-4-14-30-24(20)33)12-13-23(34)32-21(15-29)18-5-2-1-3-6-18/h1-15,18,27H,16-17,19-20H2,(H,39,42);1-11,14,21H,12-13,15-16,29H2,(H,32,34)/t27-;21-/m00/s1
• InChIKey: SWNWKCWYFMGQKL-GFYRHPMOSA-N
• XLogP: 9.59
• TPSA: 201.48 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 13
• Rotatable Bonds: 19
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1097.09
LogP ≤ 5	9.59
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-amino-1-phenylethyl]-3-[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]propanamide;N-[(1R)-2-(1,3-dioxoisoindol-2-yl)-1-phenylethyl]-3-[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]propanamide?

The IUPAC name of N-[(1R)-2-amino-1-phenylethyl]-3-[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]propanamide;N-[(1R)-2-(1,3-dioxoisoindol-2-yl)-1-phenylethyl]-3-[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]propanamide (CID 160957224) is N-[(1R)-2-amino-1-phenylethyl]-3-[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]propanamide;N-[(1R)-2-(1,3-dioxoisoindol-2-yl)-1-phenylethyl]-3-[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]propanamide.

What is the SMILES notation for N-[(1R)-2-amino-1-phenylethyl]-3-[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]propanamide;N-[(1R)-2-(1,3-dioxoisoindol-2-yl)-1-phenylethyl]-3-[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]propanamide?

The canonical SMILES for N-[(1R)-2-amino-1-phenylethyl]-3-[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]propanamide;N-[(1R)-2-(1,3-dioxoisoindol-2-yl)-1-phenylethyl]-3-[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]propanamide is NC[C@H](NC(=O)CCc1nc2cccnc2n1Cc1ccc(OC(F)(F)F)cc1)c1ccccc1.O=C(CCc1nc2cccnc2n1Cc1ccc(OC(F)(F)F)cc1)N[C@@H](CN1C(=O)c2ccccc2C1=O)c1ccccc1.

What is the InChIKey of N-[(1R)-2-amino-1-phenylethyl]-3-[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]propanamide;N-[(1R)-2-(1,3-dioxoisoindol-2-yl)-1-phenylethyl]-3-[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]propanamide?

The InChIKey is SWNWKCWYFMGQKL-GFYRHPMOSA-N. The full InChI is InChI=1S/C33H26F3N5O4.C25H24F3N5O2/c34-33(35,36)45-23-14-12-21(13-15-23)19-40-28(38-26-11-6-18-37-30(26)40)16-17-29(42)39-27(22-7-2-1-3-8-22)20-41-31(43)24-9-4-5-10-25(24)32(41)44;26-25(27,28)35-19-10-8-17(9-11-19)16-33-22(31-20-7-4-14-30-24(20)33)12-13-23(34)32-21(15-29)18-5-2-1-3-6-18/h1-15,18,27H,16-17,19-20H2,(H,39,42);1-11,14,21H,12-13,15-16,29H2,(H,32,34)/t27-;21-/m00/s1.

What are the key properties of N-[(1R)-2-amino-1-phenylethyl]-3-[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]propanamide;N-[(1R)-2-(1,3-dioxoisoindol-2-yl)-1-phenylethyl]-3-[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]propanamide?

N-[(1R)-2-amino-1-phenylethyl]-3-[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]propanamide;N-[(1R)-2-(1,3-dioxoisoindol-2-yl)-1-phenylethyl]-3-[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]propanamide has a molecular weight of 1097.09 g/mol, XLogP of 9.59, 19 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R)-2-amino-1-phenylethyl]-3-[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]propanamide;N-[(1R)-2-(1,3-dioxoisoindol-2-yl)-1-phenylethyl]-3-[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]propanamide is sourced from PubChem (CID 160957224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).