4-[3-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-4-(2H-tetrazol-5-yl)phenyl]-N,N-dimethylbenzamide

C33H32N8O — CID 138743833

About 4-[3-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-4-(2H-tetrazol-5-yl)phenyl]-N,N-dimethylbenzamide

4-[3-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-4-(2H-tetrazol-5-yl)phenyl]-N,N-dimethylbenzamide (PubChem CID 138743833) has the molecular formula C33H32N8O and a molecular weight of 556.67 g/mol. Its IUPAC name is 4-[3-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-4-(2H-tetrazol-5-yl)phenyl]-N,N-dimethylbenzamide.

Molecular Properties

• Compound Name: 4-[3-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-4-(2H-tetrazol-5-yl)phenyl]-N,N-dimethylbenzamide
• PubChem CID: 138743833
• Molecular Formula: C33H32N8O
• Molecular Weight: 556.67 g/mol
• Exact Mass: 556.27
• IUPAC Name: 4-[3-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-4-(2H-tetrazol-5-yl)phenyl]-N,N-dimethylbenzamide
• SMILES: CCc1nc2c(C)cc(C)nc2n1Cc1ccc(-c2cc(-c3ccc(C(=O)N(C)C)cc3)ccc2-c2nn[nH]n2)cc1
• InChI: InChI=1S/C33H32N8O/c1-6-29-35-30-20(2)17-21(3)34-32(30)41(29)19-22-7-9-24(10-8-22)28-18-26(15-16-27(28)31-36-38-39-37-31)23-11-13-25(14-12-23)33(42)40(4)5/h7-18H,6,19H2,1-5H3,(H,36,37,38,39)
• InChIKey: CYFZKAHYRDPLIS-UHFFFAOYSA-N
• XLogP: 5.87
• TPSA: 105.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	556.67
LogP ≤ 5	5.87
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-4-(2H-tetrazol-5-yl)phenyl]-N,N-dimethylbenzamide?

The IUPAC name of 4-[3-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-4-(2H-tetrazol-5-yl)phenyl]-N,N-dimethylbenzamide (CID 138743833) is 4-[3-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-4-(2H-tetrazol-5-yl)phenyl]-N,N-dimethylbenzamide.

What is the SMILES notation for 4-[3-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-4-(2H-tetrazol-5-yl)phenyl]-N,N-dimethylbenzamide?

The canonical SMILES for 4-[3-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-4-(2H-tetrazol-5-yl)phenyl]-N,N-dimethylbenzamide is CCc1nc2c(C)cc(C)nc2n1Cc1ccc(-c2cc(-c3ccc(C(=O)N(C)C)cc3)ccc2-c2nn[nH]n2)cc1.

What is the InChIKey of 4-[3-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-4-(2H-tetrazol-5-yl)phenyl]-N,N-dimethylbenzamide?

The InChIKey is CYFZKAHYRDPLIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H32N8O/c1-6-29-35-30-20(2)17-21(3)34-32(30)41(29)19-22-7-9-24(10-8-22)28-18-26(15-16-27(28)31-36-38-39-37-31)23-11-13-25(14-12-23)33(42)40(4)5/h7-18H,6,19H2,1-5H3,(H,36,37,38,39).

What are the key properties of 4-[3-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-4-(2H-tetrazol-5-yl)phenyl]-N,N-dimethylbenzamide?

4-[3-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-4-(2H-tetrazol-5-yl)phenyl]-N,N-dimethylbenzamide has a molecular weight of 556.67 g/mol, XLogP of 5.87, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-4-(2H-tetrazol-5-yl)phenyl]-N,N-dimethylbenzamide is sourced from PubChem (CID 138743833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).