5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylbenzoic acid;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylbenzoyl chloride;1-[5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylphenyl]-2-[6-(3-propan-2-yl-1,2,4-triazol-4-yl)-2-pyridinyl]ethanone;6-(3-propan-2-yl-1,2,4-triazol-4-yl)pyridin-2-amine

C63H63ClF3N15O4 — CID 158687372

About 5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylbenzoic acid;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylbenzoyl chloride;1-[5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylphenyl]-2-[6-(3-propan-2-yl-1,2,4-triazol-4-yl)-2-pyridinyl]ethanone;6-(3-propan-2-yl-1,2,4-triazol-4-yl)pyridin-2-amine

5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylbenzoic acid;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylbenzoyl chloride;1-[5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylphenyl]-2-[6-(3-propan-2-yl-1,2,4-triazol-4-yl)-2-pyridinyl]ethanone;6-(3-propan-2-yl-1,2,4-triazol-4-yl)pyridin-2-amine (PubChem CID 158687372) has the molecular formula C63H63ClF3N15O4 and a molecular weight of 1186.74 g/mol. Its IUPAC name is 5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylbenzoic acid;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylbenzoyl chloride;1-[5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylphenyl]-2-[6-(3-propan-2-yl-1,2,4-triazol-4-yl)-2-pyridinyl]ethanone;6-(3-propan-2-yl-1,2,4-triazol-4-yl)pyridin-2-amine.

Molecular Properties

• Compound Name: 5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylbenzoic acid;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylbenzoyl chloride;1-[5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylphenyl]-2-[6-(3-propan-2-yl-1,2,4-triazol-4-yl)-2-pyridinyl]ethanone;6-(3-propan-2-yl-1,2,4-triazol-4-yl)pyridin-2-amine
• PubChem CID: 158687372
• Molecular Formula: C63H63ClF3N15O4
• Molecular Weight: 1186.74 g/mol
• Exact Mass: 1185.48
• IUPAC Name: 5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylbenzoic acid;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylbenzoyl chloride;1-[5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylphenyl]-2-[6-(3-propan-2-yl-1,2,4-triazol-4-yl)-2-pyridinyl]ethanone;6-(3-propan-2-yl-1,2,4-triazol-4-yl)pyridin-2-amine
• SMILES: CC(C)c1nncn1-c1cccc(N)n1.Cc1cc(F)c(C(=O)Cc2cccc(-n3cnnc3C(C)C)n2)cc1-n1cnc(C2CC2)c1.Cc1cc(F)c(C(=O)Cl)cc1-n1cnc(C2CC2)c1.Cc1cc(F)c(C(=O)O)cc1-n1cnc(C2CC2)c1
• InChI: InChI=1S/C25H25FN6O.C14H12ClFN2O.C14H13FN2O2.C10H13N5/c1-15(2)25-30-28-14-32(25)24-6-4-5-18(29-24)10-23(33)19-11-22(16(3)9-20(19)26)31-12-21(27-13-31)17-7-8-17;1-8-4-11(16)10(14(15)19)5-13(8)18-6-12(17-7-18)9-2-3-9;1-8-4-11(15)10(14(18)19)5-13(8)17-6-12(16-7-17)9-2-3-9;1-7(2)10-14-12-6-15(10)9-5-3-4-8(11)13-9/h4-6,9,11-15,17H,7-8,10H2,1-3H3;4-7,9H,2-3H2,1H3;4-7,9H,2-3H2,1H3,(H,18,19);3-7H,1-2H3,(H2,11,13)
• InChIKey: IFXHRPFAPXZYHS-UHFFFAOYSA-N
• XLogP: 12.56
• TPSA: 238.12 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 18
• Rotatable Bonds: 15
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1186.74
LogP ≤ 5	12.56
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acid_halide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylbenzoic acid;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylbenzoyl chloride;1-[5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylphenyl]-2-[6-(3-propan-2-yl-1,2,4-triazol-4-yl)-2-pyridinyl]ethanone;6-(3-propan-2-yl-1,2,4-triazol-4-yl)pyridin-2-amine?

The IUPAC name of 5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylbenzoic acid;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylbenzoyl chloride;1-[5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylphenyl]-2-[6-(3-propan-2-yl-1,2,4-triazol-4-yl)-2-pyridinyl]ethanone;6-(3-propan-2-yl-1,2,4-triazol-4-yl)pyridin-2-amine (CID 158687372) is 5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylbenzoic acid;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylbenzoyl chloride;1-[5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylphenyl]-2-[6-(3-propan-2-yl-1,2,4-triazol-4-yl)-2-pyridinyl]ethanone;6-(3-propan-2-yl-1,2,4-triazol-4-yl)pyridin-2-amine.

What is the SMILES notation for 5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylbenzoic acid;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylbenzoyl chloride;1-[5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylphenyl]-2-[6-(3-propan-2-yl-1,2,4-triazol-4-yl)-2-pyridinyl]ethanone;6-(3-propan-2-yl-1,2,4-triazol-4-yl)pyridin-2-amine?

The canonical SMILES for 5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylbenzoic acid;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylbenzoyl chloride;1-[5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylphenyl]-2-[6-(3-propan-2-yl-1,2,4-triazol-4-yl)-2-pyridinyl]ethanone;6-(3-propan-2-yl-1,2,4-triazol-4-yl)pyridin-2-amine is CC(C)c1nncn1-c1cccc(N)n1.Cc1cc(F)c(C(=O)Cc2cccc(-n3cnnc3C(C)C)n2)cc1-n1cnc(C2CC2)c1.Cc1cc(F)c(C(=O)Cl)cc1-n1cnc(C2CC2)c1.Cc1cc(F)c(C(=O)O)cc1-n1cnc(C2CC2)c1.

What is the InChIKey of 5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylbenzoic acid;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylbenzoyl chloride;1-[5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylphenyl]-2-[6-(3-propan-2-yl-1,2,4-triazol-4-yl)-2-pyridinyl]ethanone;6-(3-propan-2-yl-1,2,4-triazol-4-yl)pyridin-2-amine?

The InChIKey is IFXHRPFAPXZYHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN6O.C14H12ClFN2O.C14H13FN2O2.C10H13N5/c1-15(2)25-30-28-14-32(25)24-6-4-5-18(29-24)10-23(33)19-11-22(16(3)9-20(19)26)31-12-21(27-13-31)17-7-8-17;1-8-4-11(16)10(14(15)19)5-13(8)18-6-12(17-7-18)9-2-3-9;1-8-4-11(15)10(14(18)19)5-13(8)17-6-12(16-7-17)9-2-3-9;1-7(2)10-14-12-6-15(10)9-5-3-4-8(11)13-9/h4-6,9,11-15,17H,7-8,10H2,1-3H3;4-7,9H,2-3H2,1H3;4-7,9H,2-3H2,1H3,(H,18,19);3-7H,1-2H3,(H2,11,13).

What are the key properties of 5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylbenzoic acid;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylbenzoyl chloride;1-[5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylphenyl]-2-[6-(3-propan-2-yl-1,2,4-triazol-4-yl)-2-pyridinyl]ethanone;6-(3-propan-2-yl-1,2,4-triazol-4-yl)pyridin-2-amine?

5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylbenzoic acid;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylbenzoyl chloride;1-[5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylphenyl]-2-[6-(3-propan-2-yl-1,2,4-triazol-4-yl)-2-pyridinyl]ethanone;6-(3-propan-2-yl-1,2,4-triazol-4-yl)pyridin-2-amine has a molecular weight of 1186.74 g/mol, XLogP of 12.56, 15 rotatable bonds, 2 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylbenzoic acid;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylbenzoyl chloride;1-[5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylphenyl]-2-[6-(3-propan-2-yl-1,2,4-triazol-4-yl)-2-pyridinyl]ethanone;6-(3-propan-2-yl-1,2,4-triazol-4-yl)pyridin-2-amine is sourced from PubChem (CID 158687372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).