5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-(1-propan-2-yl-2,3-dihydrotetrazol-5-yl)-2-pyridinyl]benzamide

C23H25FN8O — CID 142472165

About 5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-(1-propan-2-yl-2,3-dihydrotetrazol-5-yl)-2-pyridinyl]benzamide

5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-(1-propan-2-yl-2,3-dihydrotetrazol-5-yl)-2-pyridinyl]benzamide (PubChem CID 142472165) has the molecular formula C23H25FN8O and a molecular weight of 448.51 g/mol. Its IUPAC name is 5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-(1-propan-2-yl-2,3-dihydrotetrazol-5-yl)-2-pyridinyl]benzamide.

Molecular Properties

• Compound Name: 5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-(1-propan-2-yl-2,3-dihydrotetrazol-5-yl)-2-pyridinyl]benzamide
• PubChem CID: 142472165
• Molecular Formula: C23H25FN8O
• Molecular Weight: 448.51 g/mol
• Exact Mass: 448.21
• IUPAC Name: 5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-(1-propan-2-yl-2,3-dihydrotetrazol-5-yl)-2-pyridinyl]benzamide
• SMILES: Cc1cc(F)c(C(=O)Nc2cccc(C3=NNNN3C(C)C)n2)cc1-n1cnc(C2CC2)c1
• InChI: InChI=1S/C23H25FN8O/c1-13(2)32-22(28-29-30-32)18-5-4-6-21(26-18)27-23(33)16-10-20(14(3)9-17(16)24)31-11-19(25-12-31)15-7-8-15/h4-6,9-13,15,29-30H,7-8H2,1-3H3,(H,26,27,33)
• InChIKey: CHJVWRVYHUOSJB-UHFFFAOYSA-N
• XLogP: 3.24
• TPSA: 99.47 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	448.51
LogP ≤ 5	3.24
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-(1-propan-2-yl-2,3-dihydrotetrazol-5-yl)-2-pyridinyl]benzamide?

The IUPAC name of 5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-(1-propan-2-yl-2,3-dihydrotetrazol-5-yl)-2-pyridinyl]benzamide (CID 142472165) is 5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-(1-propan-2-yl-2,3-dihydrotetrazol-5-yl)-2-pyridinyl]benzamide.

What is the SMILES notation for 5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-(1-propan-2-yl-2,3-dihydrotetrazol-5-yl)-2-pyridinyl]benzamide?

The canonical SMILES for 5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-(1-propan-2-yl-2,3-dihydrotetrazol-5-yl)-2-pyridinyl]benzamide is Cc1cc(F)c(C(=O)Nc2cccc(C3=NNNN3C(C)C)n2)cc1-n1cnc(C2CC2)c1.

What is the InChIKey of 5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-(1-propan-2-yl-2,3-dihydrotetrazol-5-yl)-2-pyridinyl]benzamide?

The InChIKey is CHJVWRVYHUOSJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN8O/c1-13(2)32-22(28-29-30-32)18-5-4-6-21(26-18)27-23(33)16-10-20(14(3)9-17(16)24)31-11-19(25-12-31)15-7-8-15/h4-6,9-13,15,29-30H,7-8H2,1-3H3,(H,26,27,33).

What are the key properties of 5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-(1-propan-2-yl-2,3-dihydrotetrazol-5-yl)-2-pyridinyl]benzamide?

5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-(1-propan-2-yl-2,3-dihydrotetrazol-5-yl)-2-pyridinyl]benzamide has a molecular weight of 448.51 g/mol, XLogP of 3.24, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-(1-propan-2-yl-2,3-dihydrotetrazol-5-yl)-2-pyridinyl]benzamide is sourced from PubChem (CID 142472165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).