2-[5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[3-(trifluoromethyl)pentan-3-yl]-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide

C24H21Cl2F7N4O2 — CID 175875662

About 2-[5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[3-(trifluoromethyl)pentan-3-yl]-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide

2-[5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[3-(trifluoromethyl)pentan-3-yl]-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide (PubChem CID 175875662) has the molecular formula C24H21Cl2F7N4O2 and a molecular weight of 601.35 g/mol. Its IUPAC name is 2-[5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[3-(trifluoromethyl)pentan-3-yl]-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide.

Molecular Properties

• Compound Name: 2-[5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[3-(trifluoromethyl)pentan-3-yl]-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide
• PubChem CID: 175875662
• Molecular Formula: C24H21Cl2F7N4O2
• Molecular Weight: 601.35 g/mol
• Exact Mass: 600.09
• IUPAC Name: 2-[5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[3-(trifluoromethyl)pentan-3-yl]-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide
• SMILES: CCC(CC)(NC(=O)c1cc2c(cn1)CN(C1=NOC(c3cc(Cl)c(F)c(Cl)c3)(C(F)(F)F)C1)C2)C(F)(F)F
• InChI: InChI=1S/C24H21Cl2F7N4O2/c1-3-21(4-2,23(28,29)30)35-20(38)17-5-12-10-37(11-13(12)9-34-17)18-8-22(39-36-18,24(31,32)33)14-6-15(25)19(27)16(26)7-14/h5-7,9H,3-4,8,10-11H2,1-2H3,(H,35,38)
• InChIKey: CXQHYRIHXYZNQP-UHFFFAOYSA-N
• XLogP: 6.89
• TPSA: 66.82 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	601.35
LogP ≤ 5	6.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[3-(trifluoromethyl)pentan-3-yl]-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide?

The IUPAC name of 2-[5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[3-(trifluoromethyl)pentan-3-yl]-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide (CID 175875662) is 2-[5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[3-(trifluoromethyl)pentan-3-yl]-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide.

What is the SMILES notation for 2-[5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[3-(trifluoromethyl)pentan-3-yl]-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide?

The canonical SMILES for 2-[5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[3-(trifluoromethyl)pentan-3-yl]-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide is CCC(CC)(NC(=O)c1cc2c(cn1)CN(C1=NOC(c3cc(Cl)c(F)c(Cl)c3)(C(F)(F)F)C1)C2)C(F)(F)F.

What is the InChIKey of 2-[5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[3-(trifluoromethyl)pentan-3-yl]-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide?

The InChIKey is CXQHYRIHXYZNQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21Cl2F7N4O2/c1-3-21(4-2,23(28,29)30)35-20(38)17-5-12-10-37(11-13(12)9-34-17)18-8-22(39-36-18,24(31,32)33)14-6-15(25)19(27)16(26)7-14/h5-7,9H,3-4,8,10-11H2,1-2H3,(H,35,38).

What are the key properties of 2-[5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[3-(trifluoromethyl)pentan-3-yl]-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide?

2-[5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[3-(trifluoromethyl)pentan-3-yl]-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide has a molecular weight of 601.35 g/mol, XLogP of 6.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[3-(trifluoromethyl)pentan-3-yl]-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide is sourced from PubChem (CID 175875662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).