5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-[5-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]benzamide

C25H21F4N7O — CID 142417497

About 5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-[5-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]benzamide

5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-[5-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]benzamide (PubChem CID 142417497) has the molecular formula C25H21F4N7O and a molecular weight of 511.48 g/mol. Its IUPAC name is 5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-[5-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]benzamide.

Molecular Properties

• Compound Name: 5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-[5-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]benzamide
• PubChem CID: 142417497
• Molecular Formula: C25H21F4N7O
• Molecular Weight: 511.48 g/mol
• Exact Mass: 511.17
• IUPAC Name: 5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-[5-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]benzamide
• SMILES: Cc1cc(F)c(C(=O)Nc2cccc(-c3nnc4n3C(C(F)(F)F)CC4)n2)cc1-n1cnc(C2CC2)c1
• InChI: InChI=1S/C25H21F4N7O/c1-13-9-16(26)15(10-19(13)35-11-18(30-12-35)14-5-6-14)24(37)32-21-4-2-3-17(31-21)23-34-33-22-8-7-20(36(22)23)25(27,28)29/h2-4,9-12,14,20H,5-8H2,1H3,(H,31,32,37)
• InChIKey: VKTHZDRBOQMORA-UHFFFAOYSA-N
• XLogP: 5.15
• TPSA: 90.52 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	511.48
LogP ≤ 5	5.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-[5-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]benzamide?

The IUPAC name of 5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-[5-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]benzamide (CID 142417497) is 5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-[5-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]benzamide.

What is the SMILES notation for 5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-[5-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]benzamide?

The canonical SMILES for 5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-[5-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]benzamide is Cc1cc(F)c(C(=O)Nc2cccc(-c3nnc4n3C(C(F)(F)F)CC4)n2)cc1-n1cnc(C2CC2)c1.

What is the InChIKey of 5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-[5-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]benzamide?

The InChIKey is VKTHZDRBOQMORA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F4N7O/c1-13-9-16(26)15(10-19(13)35-11-18(30-12-35)14-5-6-14)24(37)32-21-4-2-3-17(31-21)23-34-33-22-8-7-20(36(22)23)25(27,28)29/h2-4,9-12,14,20H,5-8H2,1H3,(H,31,32,37).

What are the key properties of 5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-[5-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]benzamide?

5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-[5-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]benzamide has a molecular weight of 511.48 g/mol, XLogP of 5.15, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-[5-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]benzamide is sourced from PubChem (CID 142417497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).