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

C₂₅H₂₄FN₇O — CID 142417493

About 5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-(6-methyl-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-(6-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-2-pyridinyl]benzamide (PubChem CID 142417493) has the molecular formula C₂₅H₂₄FN₇O and a molecular weight of 457.51 g/mol. Its IUPAC name is 5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-(6-methyl-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-(6-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-2-pyridinyl]benzamide
• PubChem CID: 142417493
• Molecular Formula: C₂₅H₂₄FN₇O
• Molecular Weight: 457.51 g/mol
• Exact Mass: 457.20
• IUPAC Name: 5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-(6-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-2-pyridinyl]benzamide
• SMILES: Cc1cc(F)c(C(=O)Nc2cccc(-c3nnc4n3CC(C)C4)n2)cc1-n1cnc(C2CC2)c1
• InChI: InChI=1S/C25H24FN7O/c1-14-8-23-30-31-24(33(23)11-14)19-4-3-5-22(28-19)29-25(34)17-10-21(15(2)9-18(17)26)32-12-20(27-13-32)16-6-7-16/h3-5,9-10,12-14,16H,6-8,11H2,1-2H3,(H,28,29,34)
• InChIKey: TXYJSZSDDBZVTB-UHFFFAOYSA-N
• XLogP: 4.30
• TPSA: 90.52 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	457.51
LogP ≤ 5	4.30
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-(6-methyl-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-(6-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-2-pyridinyl]benzamide (CID 142417493) is 5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-(6-methyl-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-(6-methyl-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-(6-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-2-pyridinyl]benzamide is Cc1cc(F)c(C(=O)Nc2cccc(-c3nnc4n3CC(C)C4)n2)cc1-n1cnc(C2CC2)c1.

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

The InChIKey is TXYJSZSDDBZVTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN7O/c1-14-8-23-30-31-24(33(23)11-14)19-4-3-5-22(28-19)29-25(34)17-10-21(15(2)9-18(17)26)32-12-20(27-13-32)16-6-7-16/h3-5,9-10,12-14,16H,6-8,11H2,1-2H3,(H,28,29,34).

What are the key properties of 5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-(6-methyl-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-(6-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-2-pyridinyl]benzamide has a molecular weight of 457.51 g/mol, XLogP of 4.30, 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-(6-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-2-pyridinyl]benzamide is sourced from PubChem (CID 142417493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 142417493 — identifiers, structure, computed properties (public domain)

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