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

C50H49ClF2N14O2 — CID 157306925

About 5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylbenzoyl chloride;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-[(5R)-5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]benzamide;6-[(5R)-5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]pyridin-2-amine

5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylbenzoyl chloride;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-[(5R)-5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]benzamide;6-[(5R)-5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]pyridin-2-amine (PubChem CID 157306925) has the molecular formula C50H49ClF2N14O2 and a molecular weight of 951.49 g/mol. Its IUPAC name is 5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylbenzoyl chloride;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-[(5R)-5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]benzamide;6-[(5R)-5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]pyridin-2-amine.

Molecular Properties

• Compound Name: 5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylbenzoyl chloride;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-[(5R)-5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]benzamide;6-[(5R)-5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]pyridin-2-amine
• PubChem CID: 157306925
• Molecular Formula: C50H49ClF2N14O2
• Molecular Weight: 951.49 g/mol
• Exact Mass: 950.38
• IUPAC Name: 5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylbenzoyl chloride;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-[(5R)-5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]benzamide;6-[(5R)-5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]pyridin-2-amine
• SMILES: C[C@@H]1CCc2nnc(-c3cccc(N)n3)n21.Cc1cc(F)c(C(=O)Cl)cc1-n1cnc(C2CC2)c1.Cc1cc(F)c(C(=O)Nc2cccc(-c3nnc4n3[C@H](C)CC4)n2)cc1-n1cnc(C2CC2)c1
• InChI: InChI=1S/C25H24FN7O.C14H12ClFN2O.C11H13N5/c1-14-10-18(26)17(11-21(14)32-12-20(27-13-32)16-7-8-16)25(34)29-22-5-3-4-19(28-22)24-31-30-23-9-6-15(2)33(23)24;1-8-4-11(16)10(14(15)19)5-13(8)18-6-12(17-7-18)9-2-3-9;1-7-5-6-10-14-15-11(16(7)10)8-3-2-4-9(12)13-8/h3-5,10-13,15-16H,6-9H2,1-2H3,(H,28,29,34);4-7,9H,2-3H2,1H3;2-4,7H,5-6H2,1H3,(H2,12,13)/t15-;;7-/m1.1/s1
• InChIKey: BCOYWNVMZOCLCB-POOVAKSUSA-N
• XLogP: 9.62
• TPSA: 195.03 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 15
• Rotatable Bonds: 9
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	951.49
LogP ≤ 5	9.62
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	15

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-methylbenzoyl chloride;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-[(5R)-5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]benzamide;6-[(5R)-5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]pyridin-2-amine?

The IUPAC name of 5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylbenzoyl chloride;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-[(5R)-5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]benzamide;6-[(5R)-5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]pyridin-2-amine (CID 157306925) is 5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylbenzoyl chloride;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-[(5R)-5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]benzamide;6-[(5R)-5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]pyridin-2-amine.

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

The canonical SMILES for 5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylbenzoyl chloride;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-[(5R)-5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]benzamide;6-[(5R)-5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]pyridin-2-amine is C[C@@H]1CCc2nnc(-c3cccc(N)n3)n21.Cc1cc(F)c(C(=O)Cl)cc1-n1cnc(C2CC2)c1.Cc1cc(F)c(C(=O)Nc2cccc(-c3nnc4n3[C@H](C)CC4)n2)cc1-n1cnc(C2CC2)c1.

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

The InChIKey is BCOYWNVMZOCLCB-POOVAKSUSA-N. The full InChI is InChI=1S/C25H24FN7O.C14H12ClFN2O.C11H13N5/c1-14-10-18(26)17(11-21(14)32-12-20(27-13-32)16-7-8-16)25(34)29-22-5-3-4-19(28-22)24-31-30-23-9-6-15(2)33(23)24;1-8-4-11(16)10(14(15)19)5-13(8)18-6-12(17-7-18)9-2-3-9;1-7-5-6-10-14-15-11(16(7)10)8-3-2-4-9(12)13-8/h3-5,10-13,15-16H,6-9H2,1-2H3,(H,28,29,34);4-7,9H,2-3H2,1H3;2-4,7H,5-6H2,1H3,(H2,12,13)/t15-;;7-/m1.1/s1.

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

5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylbenzoyl chloride;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-[(5R)-5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]benzamide;6-[(5R)-5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]pyridin-2-amine has a molecular weight of 951.49 g/mol, XLogP of 9.62, 9 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylbenzoyl chloride;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-[(5R)-5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]benzamide;6-[(5R)-5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]pyridin-2-amine is sourced from PubChem (CID 157306925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).