5-(3-fluoro-4-methylphenyl)-1-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrrole-2-carboxamide

C22H21FN6O — CID 174238643

About 5-(3-fluoro-4-methylphenyl)-1-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrrole-2-carboxamide

5-(3-fluoro-4-methylphenyl)-1-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrrole-2-carboxamide (PubChem CID 174238643) has the molecular formula C22H21FN6O and a molecular weight of 404.45 g/mol. Its IUPAC name is 5-(3-fluoro-4-methylphenyl)-1-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrrole-2-carboxamide.

Molecular Properties

• Compound Name: 5-(3-fluoro-4-methylphenyl)-1-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrrole-2-carboxamide
• PubChem CID: 174238643
• Molecular Formula: C22H21FN6O
• Molecular Weight: 404.45 g/mol
• Exact Mass: 404.18
• IUPAC Name: 5-(3-fluoro-4-methylphenyl)-1-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrrole-2-carboxamide
• SMILES: Cc1ccc(-c2ccc(C(N)=O)n2-c2cccc(-c3nncn3C(C)C)n2)cc1F
• InChI: InChI=1S/C22H21FN6O/c1-13(2)28-12-25-27-22(28)17-5-4-6-20(26-17)29-18(9-10-19(29)21(24)30)15-8-7-14(3)16(23)11-15/h4-13H,1-3H3,(H2,24,30)
• InChIKey: XFWNVMVPGRBHMS-UHFFFAOYSA-N
• XLogP: 3.93
• TPSA: 91.62 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	404.45
LogP ≤ 5	3.93
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-(3-fluoro-4-methylphenyl)-1-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrrole-2-carboxamide?

The IUPAC name of 5-(3-fluoro-4-methylphenyl)-1-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrrole-2-carboxamide (CID 174238643) is 5-(3-fluoro-4-methylphenyl)-1-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrrole-2-carboxamide.

What is the SMILES notation for 5-(3-fluoro-4-methylphenyl)-1-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrrole-2-carboxamide?

The canonical SMILES for 5-(3-fluoro-4-methylphenyl)-1-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrrole-2-carboxamide is Cc1ccc(-c2ccc(C(N)=O)n2-c2cccc(-c3nncn3C(C)C)n2)cc1F.

What is the InChIKey of 5-(3-fluoro-4-methylphenyl)-1-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrrole-2-carboxamide?

The InChIKey is XFWNVMVPGRBHMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN6O/c1-13(2)28-12-25-27-22(28)17-5-4-6-20(26-17)29-18(9-10-19(29)21(24)30)15-8-7-14(3)16(23)11-15/h4-13H,1-3H3,(H2,24,30).

What are the key properties of 5-(3-fluoro-4-methylphenyl)-1-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrrole-2-carboxamide?

5-(3-fluoro-4-methylphenyl)-1-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrrole-2-carboxamide has a molecular weight of 404.45 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(3-fluoro-4-methylphenyl)-1-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrrole-2-carboxamide is sourced from PubChem (CID 174238643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).