2-fluoro-5-[2-[(4-fluorobenzoyl)amino]cyclopropyl]-4-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide

C28H26F2N6O2 — CID 146402875

About 2-fluoro-5-[2-[(4-fluorobenzoyl)amino]cyclopropyl]-4-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide

2-fluoro-5-[2-[(4-fluorobenzoyl)amino]cyclopropyl]-4-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide (PubChem CID 146402875) has the molecular formula C28H26F2N6O2 and a molecular weight of 516.55 g/mol. Its IUPAC name is 2-fluoro-5-[2-[(4-fluorobenzoyl)amino]cyclopropyl]-4-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide.

Molecular Properties

• Compound Name: 2-fluoro-5-[2-[(4-fluorobenzoyl)amino]cyclopropyl]-4-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide
• PubChem CID: 146402875
• Molecular Formula: C28H26F2N6O2
• Molecular Weight: 516.55 g/mol
• Exact Mass: 516.21
• IUPAC Name: 2-fluoro-5-[2-[(4-fluorobenzoyl)amino]cyclopropyl]-4-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide
• SMILES: Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1C1CC1NC(=O)c1ccc(F)cc1
• InChI: InChI=1S/C28H26F2N6O2/c1-15(2)36-14-31-35-26(36)23-5-4-6-25(32-23)34-28(38)21-12-19(16(3)11-22(21)30)20-13-24(20)33-27(37)17-7-9-18(29)10-8-17/h4-12,14-15,20,24H,13H2,1-3H3,(H,33,37)(H,32,34,38)
• InChIKey: MFDPDMPBQJVCSG-UHFFFAOYSA-N
• XLogP: 5.05
• TPSA: 101.80 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	516.55
LogP ≤ 5	5.05
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 2-fluoro-5-[2-[(4-fluorobenzoyl)amino]cyclopropyl]-4-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide (CID 146402875) is 2-fluoro-5-[2-[(4-fluorobenzoyl)amino]cyclopropyl]-4-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide.

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

The canonical SMILES for 2-fluoro-5-[2-[(4-fluorobenzoyl)amino]cyclopropyl]-4-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide is Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1C1CC1NC(=O)c1ccc(F)cc1.

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

The InChIKey is MFDPDMPBQJVCSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26F2N6O2/c1-15(2)36-14-31-35-26(36)23-5-4-6-25(32-23)34-28(38)21-12-19(16(3)11-22(21)30)20-13-24(20)33-27(37)17-7-9-18(29)10-8-17/h4-12,14-15,20,24H,13H2,1-3H3,(H,33,37)(H,32,34,38).

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

2-fluoro-5-[2-[(4-fluorobenzoyl)amino]cyclopropyl]-4-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide has a molecular weight of 516.55 g/mol, XLogP of 5.05, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-fluoro-5-[2-[(4-fluorobenzoyl)amino]cyclopropyl]-4-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide is sourced from PubChem (CID 146402875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).