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;N-[[3-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-5-(morpholin-4-ylmethyl)thiophen-2-yl]methyl]-2-phenylacetamide

C106H105N13O4S3 — CID 158232963

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;N-[[3-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-5-(morpholin-4-ylmethyl)thiophen-2-yl]methyl]-2-phenylacetamide

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;N-[[3-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-5-(morpholin-4-ylmethyl)thiophen-2-yl]methyl]-2-phenylacetamide (PubChem CID 158232963) has the molecular formula C106H105N13O4S3 and a molecular weight of 1721.29 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;N-[[3-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-5-(morpholin-4-ylmethyl)thiophen-2-yl]methyl]-2-phenylacetamide.

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;N-[[3-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-5-(morpholin-4-ylmethyl)thiophen-2-yl]methyl]-2-phenylacetamide
• PubChem CID: 158232963
• Molecular Formula: C106H105N13O4S3
• Molecular Weight: 1721.29 g/mol
• Exact Mass: 1719.76
• 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;N-[[3-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-5-(morpholin-4-ylmethyl)thiophen-2-yl]methyl]-2-phenylacetamide
• SMILES: CCc1nc2c(C)cc(C)nc2n1Cc1ccc(-c2cc(CN3CCOCC3)sc2CNC(=O)Cc2ccccc2)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.C35H39N5O2S.C35H32N4OS/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;1-4-32-38-34-24(2)18-25(3)37-35(34)40(32)22-27-10-12-28(13-11-27)30-20-29(23-39-14-16-42-17-15-39)43-31(30)21-36-33(41)19-26-8-6-5-7-9-26;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/h5-19,21H,4,20,22-23H2,1-3H3,(H,37,41);5-13,18,20H,4,14-17,19,21-23H2,1-3H3,(H,36,41);4-19,21H,3,20,22-23H2,1-2H3,(H,37,40)
• InChIKey: GEPNVFHJFKVIQO-UHFFFAOYSA-N
• XLogP: 21.59
• TPSA: 191.90 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 17
• Rotatable Bonds: 28
• Heavy Atoms: 126
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1721.29
LogP ≤ 5	21.59
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	17

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;N-[[3-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-5-(morpholin-4-ylmethyl)thiophen-2-yl]methyl]-2-phenylacetamide?

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;N-[[3-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-5-(morpholin-4-ylmethyl)thiophen-2-yl]methyl]-2-phenylacetamide (CID 158232963) 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;N-[[3-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-5-(morpholin-4-ylmethyl)thiophen-2-yl]methyl]-2-phenylacetamide.

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;N-[[3-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-5-(morpholin-4-ylmethyl)thiophen-2-yl]methyl]-2-phenylacetamide?

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;N-[[3-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-5-(morpholin-4-ylmethyl)thiophen-2-yl]methyl]-2-phenylacetamide is CCc1nc2c(C)cc(C)nc2n1Cc1ccc(-c2cc(CN3CCOCC3)sc2CNC(=O)Cc2ccccc2)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;N-[[3-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-5-(morpholin-4-ylmethyl)thiophen-2-yl]methyl]-2-phenylacetamide?

The InChIKey is GEPNVFHJFKVIQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H34N4OS.C35H39N5O2S.C35H32N4OS/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;1-4-32-38-34-24(2)18-25(3)37-35(34)40(32)22-27-10-12-28(13-11-27)30-20-29(23-39-14-16-42-17-15-39)43-31(30)21-36-33(41)19-26-8-6-5-7-9-26;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/h5-19,21H,4,20,22-23H2,1-3H3,(H,37,41);5-13,18,20H,4,14-17,19,21-23H2,1-3H3,(H,36,41);4-19,21H,3,20,22-23H2,1-2H3,(H,37,40).

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;N-[[3-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-5-(morpholin-4-ylmethyl)thiophen-2-yl]methyl]-2-phenylacetamide?

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;N-[[3-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-5-(morpholin-4-ylmethyl)thiophen-2-yl]methyl]-2-phenylacetamide has a molecular weight of 1721.29 g/mol, XLogP of 21.59, 28 rotatable bonds, 3 hydrogen bond donors, and 17 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;N-[[3-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-5-(morpholin-4-ylmethyl)thiophen-2-yl]methyl]-2-phenylacetamide is sourced from PubChem (CID 158232963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).