7-[3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]-N-(2-ethoxyphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide

C29H35N7O5 — CID 135662124

About 7-[3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]-N-(2-ethoxyphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide

7-[3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]-N-(2-ethoxyphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 135662124) has the molecular formula C29H35N7O5 and a molecular weight of 561.64 g/mol. Its IUPAC name is 7-[3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]-N-(2-ethoxyphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

• Compound Name: 7-[3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]-N-(2-ethoxyphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
• PubChem CID: 135662124
• Molecular Formula: C29H35N7O5
• Molecular Weight: 561.64 g/mol
• Exact Mass: 561.27
• IUPAC Name: 7-[3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]-N-(2-ethoxyphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
• SMILES: CCOc1ccccc1NC(=O)C1=C(C)Nc2nnnn2C1c1ccc(OCC(=O)N2CCCCC2)c(OCC)c1
• InChI: InChI=1S/C29H35N7O5/c1-4-39-22-12-8-7-11-21(22)31-28(38)26-19(3)30-29-32-33-34-36(29)27(26)20-13-14-23(24(17-20)40-5-2)41-18-25(37)35-15-9-6-10-16-35/h7-8,11-14,17,27H,4-6,9-10,15-16,18H2,1-3H3,(H,31,38)(H,30,32,34)
• InChIKey: OOSQTENVCZPMFZ-UHFFFAOYSA-N
• XLogP: 3.79
• TPSA: 132.73 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	561.64
LogP ≤ 5	3.79
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 7-[3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]-N-(2-ethoxyphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide?

The IUPAC name of 7-[3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]-N-(2-ethoxyphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide (CID 135662124) is 7-[3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]-N-(2-ethoxyphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide.

What is the SMILES notation for 7-[3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]-N-(2-ethoxyphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide?

The canonical SMILES for 7-[3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]-N-(2-ethoxyphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide is CCOc1ccccc1NC(=O)C1=C(C)Nc2nnnn2C1c1ccc(OCC(=O)N2CCCCC2)c(OCC)c1.

What is the InChIKey of 7-[3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]-N-(2-ethoxyphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide?

The InChIKey is OOSQTENVCZPMFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N7O5/c1-4-39-22-12-8-7-11-21(22)31-28(38)26-19(3)30-29-32-33-34-36(29)27(26)20-13-14-23(24(17-20)40-5-2)41-18-25(37)35-15-9-6-10-16-35/h7-8,11-14,17,27H,4-6,9-10,15-16,18H2,1-3H3,(H,31,38)(H,30,32,34).

What are the key properties of 7-[3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]-N-(2-ethoxyphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide?

7-[3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]-N-(2-ethoxyphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 561.64 g/mol, XLogP of 3.79, 10 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]-N-(2-ethoxyphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 135662124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).