5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylbenzoyl chloride;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]benzamide;6-(1-propan-2-yltetrazol-5-yl)pyridin-2-amine

C46H47ClF2N16O2 — CID 159768035

About 5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylbenzoyl chloride;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]benzamide;6-(1-propan-2-yltetrazol-5-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-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]benzamide;6-(1-propan-2-yltetrazol-5-yl)pyridin-2-amine (PubChem CID 159768035) has the molecular formula C46H47ClF2N16O2 and a molecular weight of 929.44 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-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]benzamide;6-(1-propan-2-yltetrazol-5-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-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]benzamide;6-(1-propan-2-yltetrazol-5-yl)pyridin-2-amine
• PubChem CID: 159768035
• Molecular Formula: C46H47ClF2N16O2
• Molecular Weight: 929.44 g/mol
• Exact Mass: 928.37
• IUPAC Name: 5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylbenzoyl chloride;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]benzamide;6-(1-propan-2-yltetrazol-5-yl)pyridin-2-amine
• SMILES: CC(C)n1nnnc1-c1cccc(N)n1.Cc1cc(F)c(C(=O)Cl)cc1-n1cnc(C2CC2)c1.Cc1cc(F)c(C(=O)Nc2cccc(-c3nnnn3C(C)C)n2)cc1-n1cnc(C2CC2)c1
• InChI: InChI=1S/C23H23FN8O.C14H12ClFN2O.C9H12N6/c1-13(2)32-22(28-29-30-32)18-5-4-6-21(26-18)27-23(33)16-10-20(14(3)9-17(16)24)31-11-19(25-12-31)15-7-8-15;1-8-4-11(16)10(14(15)19)5-13(8)18-6-12(17-7-18)9-2-3-9;1-6(2)15-9(12-13-14-15)7-4-3-5-8(10)11-7/h4-6,9-13,15H,7-8H2,1-3H3,(H,26,27,33);4-7,9H,2-3H2,1H3;3-6H,1-2H3,(H2,10,11)
• InChIKey: NFTFBSSRQDMRMX-UHFFFAOYSA-N
• XLogP: 8.55
• TPSA: 220.81 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 17
• Rotatable Bonds: 11
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	929.44
LogP ≤ 5	8.55
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	17

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-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]benzamide;6-(1-propan-2-yltetrazol-5-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-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]benzamide;6-(1-propan-2-yltetrazol-5-yl)pyridin-2-amine (CID 159768035) is 5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylbenzoyl chloride;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]benzamide;6-(1-propan-2-yltetrazol-5-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-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]benzamide;6-(1-propan-2-yltetrazol-5-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-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]benzamide;6-(1-propan-2-yltetrazol-5-yl)pyridin-2-amine is CC(C)n1nnnc1-c1cccc(N)n1.Cc1cc(F)c(C(=O)Cl)cc1-n1cnc(C2CC2)c1.Cc1cc(F)c(C(=O)Nc2cccc(-c3nnnn3C(C)C)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-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]benzamide;6-(1-propan-2-yltetrazol-5-yl)pyridin-2-amine?

The InChIKey is NFTFBSSRQDMRMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN8O.C14H12ClFN2O.C9H12N6/c1-13(2)32-22(28-29-30-32)18-5-4-6-21(26-18)27-23(33)16-10-20(14(3)9-17(16)24)31-11-19(25-12-31)15-7-8-15;1-8-4-11(16)10(14(15)19)5-13(8)18-6-12(17-7-18)9-2-3-9;1-6(2)15-9(12-13-14-15)7-4-3-5-8(10)11-7/h4-6,9-13,15H,7-8H2,1-3H3,(H,26,27,33);4-7,9H,2-3H2,1H3;3-6H,1-2H3,(H2,10,11).

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-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]benzamide;6-(1-propan-2-yltetrazol-5-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-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]benzamide;6-(1-propan-2-yltetrazol-5-yl)pyridin-2-amine has a molecular weight of 929.44 g/mol, XLogP of 8.55, 11 rotatable bonds, 2 hydrogen bond donors, and 17 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-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]benzamide;6-(1-propan-2-yltetrazol-5-yl)pyridin-2-amine is sourced from PubChem (CID 159768035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).