N-[[5-benzyl-3-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]thiophen-2-yl]methyl]benzamide;N-[[5-benzyl-3-[4-[(2-ethyl-7-methylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]thiophen-2-yl]methyl]benzamide;methyl N-[[2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-4-phenylphenyl]methyl]carbamate

C103H98N12O4S2 — CID 162254852

About N-[[5-benzyl-3-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]thiophen-2-yl]methyl]benzamide;N-[[5-benzyl-3-[4-[(2-ethyl-7-methylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]thiophen-2-yl]methyl]benzamide;methyl N-[[2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-4-phenylphenyl]methyl]carbamate

N-[[5-benzyl-3-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]thiophen-2-yl]methyl]benzamide;N-[[5-benzyl-3-[4-[(2-ethyl-7-methylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]thiophen-2-yl]methyl]benzamide;methyl N-[[2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-4-phenylphenyl]methyl]carbamate (PubChem CID 162254852) has the molecular formula C103H98N12O4S2 and a molecular weight of 1632.13 g/mol. Its IUPAC name is N-[[5-benzyl-3-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]thiophen-2-yl]methyl]benzamide;N-[[5-benzyl-3-[4-[(2-ethyl-7-methylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]thiophen-2-yl]methyl]benzamide;methyl N-[[2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-4-phenylphenyl]methyl]carbamate.

Molecular Properties

• Compound Name: N-[[5-benzyl-3-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]thiophen-2-yl]methyl]benzamide;N-[[5-benzyl-3-[4-[(2-ethyl-7-methylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]thiophen-2-yl]methyl]benzamide;methyl N-[[2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-4-phenylphenyl]methyl]carbamate
• PubChem CID: 162254852
• Molecular Formula: C103H98N12O4S2
• Molecular Weight: 1632.13 g/mol
• Exact Mass: 1630.73
• IUPAC Name: N-[[5-benzyl-3-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]thiophen-2-yl]methyl]benzamide;N-[[5-benzyl-3-[4-[(2-ethyl-7-methylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]thiophen-2-yl]methyl]benzamide;methyl N-[[2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-4-phenylphenyl]methyl]carbamate
• SMILES: CCc1nc2c(C)cc(C)nc2n1Cc1ccc(-c2cc(-c3ccccc3)ccc2CNC(=O)OC)cc1.CCc1nc2c(C)cc(C)nc2n1Cc1ccc(-c2cc(Cc3ccccc3)sc2CNC(=O)c2ccccc2)cc1.CCc1nc2c(C)ccnc2n1Cc1ccc(-c2cc(Cc3ccccc3)sc2CNC(=O)c2ccccc2)cc1
• InChI: InChI=1S/C36H34N4OS.C35H32N4OS.C32H32N4O2/c1-4-33-39-34-24(2)19-25(3)38-35(34)40(33)23-27-15-17-28(18-16-27)31-21-30(20-26-11-7-5-8-12-26)42-32(31)22-37-36(41)29-13-9-6-10-14-29;1-3-32-38-33-24(2)18-19-36-34(33)39(32)23-26-14-16-27(17-15-26)30-21-29(20-25-10-6-4-7-11-25)41-31(30)22-37-35(40)28-12-8-5-9-13-28;1-5-29-35-30-21(2)17-22(3)34-31(30)36(29)20-23-11-13-25(14-12-23)28-18-26(24-9-7-6-8-10-24)15-16-27(28)19-33-32(37)38-4/h5-19,21H,4,20,22-23H2,1-3H3,(H,37,41);4-19,21H,3,20,22-23H2,1-2H3,(H,37,40);6-18H,5,19-20H2,1-4H3,(H,33,37)
• InChIKey: ZYLNRPJNFJVJGO-UHFFFAOYSA-N
• XLogP: 22.36
• TPSA: 188.66 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 15
• Rotatable Bonds: 25
• Heavy Atoms: 121
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1632.13
LogP ≤ 5	22.36
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of N-[[5-benzyl-3-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]thiophen-2-yl]methyl]benzamide;N-[[5-benzyl-3-[4-[(2-ethyl-7-methylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]thiophen-2-yl]methyl]benzamide;methyl N-[[2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-4-phenylphenyl]methyl]carbamate?

The IUPAC name of N-[[5-benzyl-3-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]thiophen-2-yl]methyl]benzamide;N-[[5-benzyl-3-[4-[(2-ethyl-7-methylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]thiophen-2-yl]methyl]benzamide;methyl N-[[2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-4-phenylphenyl]methyl]carbamate (CID 162254852) is N-[[5-benzyl-3-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]thiophen-2-yl]methyl]benzamide;N-[[5-benzyl-3-[4-[(2-ethyl-7-methylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]thiophen-2-yl]methyl]benzamide;methyl N-[[2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-4-phenylphenyl]methyl]carbamate.

What is the SMILES notation for N-[[5-benzyl-3-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]thiophen-2-yl]methyl]benzamide;N-[[5-benzyl-3-[4-[(2-ethyl-7-methylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]thiophen-2-yl]methyl]benzamide;methyl N-[[2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-4-phenylphenyl]methyl]carbamate?

The canonical SMILES for N-[[5-benzyl-3-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]thiophen-2-yl]methyl]benzamide;N-[[5-benzyl-3-[4-[(2-ethyl-7-methylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]thiophen-2-yl]methyl]benzamide;methyl N-[[2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-4-phenylphenyl]methyl]carbamate is CCc1nc2c(C)cc(C)nc2n1Cc1ccc(-c2cc(-c3ccccc3)ccc2CNC(=O)OC)cc1.CCc1nc2c(C)cc(C)nc2n1Cc1ccc(-c2cc(Cc3ccccc3)sc2CNC(=O)c2ccccc2)cc1.CCc1nc2c(C)ccnc2n1Cc1ccc(-c2cc(Cc3ccccc3)sc2CNC(=O)c2ccccc2)cc1.

What is the InChIKey of N-[[5-benzyl-3-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]thiophen-2-yl]methyl]benzamide;N-[[5-benzyl-3-[4-[(2-ethyl-7-methylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]thiophen-2-yl]methyl]benzamide;methyl N-[[2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-4-phenylphenyl]methyl]carbamate?

The InChIKey is ZYLNRPJNFJVJGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H34N4OS.C35H32N4OS.C32H32N4O2/c1-4-33-39-34-24(2)19-25(3)38-35(34)40(33)23-27-15-17-28(18-16-27)31-21-30(20-26-11-7-5-8-12-26)42-32(31)22-37-36(41)29-13-9-6-10-14-29;1-3-32-38-33-24(2)18-19-36-34(33)39(32)23-26-14-16-27(17-15-26)30-21-29(20-25-10-6-4-7-11-25)41-31(30)22-37-35(40)28-12-8-5-9-13-28;1-5-29-35-30-21(2)17-22(3)34-31(30)36(29)20-23-11-13-25(14-12-23)28-18-26(24-9-7-6-8-10-24)15-16-27(28)19-33-32(37)38-4/h5-19,21H,4,20,22-23H2,1-3H3,(H,37,41);4-19,21H,3,20,22-23H2,1-2H3,(H,37,40);6-18H,5,19-20H2,1-4H3,(H,33,37).

What are the key properties of N-[[5-benzyl-3-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]thiophen-2-yl]methyl]benzamide;N-[[5-benzyl-3-[4-[(2-ethyl-7-methylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]thiophen-2-yl]methyl]benzamide;methyl N-[[2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-4-phenylphenyl]methyl]carbamate?

N-[[5-benzyl-3-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]thiophen-2-yl]methyl]benzamide;N-[[5-benzyl-3-[4-[(2-ethyl-7-methylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]thiophen-2-yl]methyl]benzamide;methyl N-[[2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-4-phenylphenyl]methyl]carbamate has a molecular weight of 1632.13 g/mol, XLogP of 22.36, 25 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[5-benzyl-3-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]thiophen-2-yl]methyl]benzamide;N-[[5-benzyl-3-[4-[(2-ethyl-7-methylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]thiophen-2-yl]methyl]benzamide;methyl N-[[2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-4-phenylphenyl]methyl]carbamate is sourced from PubChem (CID 162254852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).