5-(4-cyclopropylimidazol-1-yl)-2-methoxy-4-methyl-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]benzamide

C24H26N8O2 — CID 140945256

About 5-(4-cyclopropylimidazol-1-yl)-2-methoxy-4-methyl-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]benzamide

5-(4-cyclopropylimidazol-1-yl)-2-methoxy-4-methyl-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]benzamide (PubChem CID 140945256) has the molecular formula C24H26N8O2 and a molecular weight of 458.53 g/mol. Its IUPAC name is 5-(4-cyclopropylimidazol-1-yl)-2-methoxy-4-methyl-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]benzamide.

Molecular Properties

• Compound Name: 5-(4-cyclopropylimidazol-1-yl)-2-methoxy-4-methyl-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]benzamide
• PubChem CID: 140945256
• Molecular Formula: C24H26N8O2
• Molecular Weight: 458.53 g/mol
• Exact Mass: 458.22
• IUPAC Name: 5-(4-cyclopropylimidazol-1-yl)-2-methoxy-4-methyl-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]benzamide
• SMILES: COc1cc(C)c(-n2cnc(C3CC3)c2)cc1C(=O)Nc1cccc(-c2nnnn2C(C)C)n1
• InChI: InChI=1S/C24H26N8O2/c1-14(2)32-23(28-29-30-32)18-6-5-7-22(26-18)27-24(33)17-11-20(15(3)10-21(17)34-4)31-12-19(25-13-31)16-8-9-16/h5-7,10-14,16H,8-9H2,1-4H3,(H,26,27,33)
• InChIKey: PDVBXVDLSABIMY-UHFFFAOYSA-N
• XLogP: 3.95
• TPSA: 112.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	458.53
LogP ≤ 5	3.95
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 5-(4-cyclopropylimidazol-1-yl)-2-methoxy-4-methyl-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]benzamide?

The IUPAC name of 5-(4-cyclopropylimidazol-1-yl)-2-methoxy-4-methyl-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]benzamide (CID 140945256) is 5-(4-cyclopropylimidazol-1-yl)-2-methoxy-4-methyl-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]benzamide.

What is the SMILES notation for 5-(4-cyclopropylimidazol-1-yl)-2-methoxy-4-methyl-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]benzamide?

The canonical SMILES for 5-(4-cyclopropylimidazol-1-yl)-2-methoxy-4-methyl-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]benzamide is COc1cc(C)c(-n2cnc(C3CC3)c2)cc1C(=O)Nc1cccc(-c2nnnn2C(C)C)n1.

What is the InChIKey of 5-(4-cyclopropylimidazol-1-yl)-2-methoxy-4-methyl-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]benzamide?

The InChIKey is PDVBXVDLSABIMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N8O2/c1-14(2)32-23(28-29-30-32)18-6-5-7-22(26-18)27-24(33)17-11-20(15(3)10-21(17)34-4)31-12-19(25-13-31)16-8-9-16/h5-7,10-14,16H,8-9H2,1-4H3,(H,26,27,33).

What are the key properties of 5-(4-cyclopropylimidazol-1-yl)-2-methoxy-4-methyl-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]benzamide?

5-(4-cyclopropylimidazol-1-yl)-2-methoxy-4-methyl-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]benzamide has a molecular weight of 458.53 g/mol, XLogP of 3.95, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4-cyclopropylimidazol-1-yl)-2-methoxy-4-methyl-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]benzamide is sourced from PubChem (CID 140945256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).