2-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[2-(2-methylpropylamino)-2-oxoethyl]-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide

C24H24Cl2F3N5O3 — CID 175875999

About 2-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[2-(2-methylpropylamino)-2-oxoethyl]-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide

2-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[2-(2-methylpropylamino)-2-oxoethyl]-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide (PubChem CID 175875999) has the molecular formula C24H24Cl2F3N5O3 and a molecular weight of 558.39 g/mol. Its IUPAC name is 2-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[2-(2-methylpropylamino)-2-oxoethyl]-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide.

Molecular Properties

• Compound Name: 2-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[2-(2-methylpropylamino)-2-oxoethyl]-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide
• PubChem CID: 175875999
• Molecular Formula: C24H24Cl2F3N5O3
• Molecular Weight: 558.39 g/mol
• Exact Mass: 557.12
• IUPAC Name: 2-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[2-(2-methylpropylamino)-2-oxoethyl]-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide
• SMILES: CC(C)CNC(=O)CNC(=O)c1cc2c(cn1)CN(C1=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C1)C2
• InChI: InChI=1S/C24H24Cl2F3N5O3/c1-13(2)8-31-21(35)10-32-22(36)19-3-14-11-34(12-15(14)9-30-19)20-7-23(37-33-20,24(27,28)29)16-4-17(25)6-18(26)5-16/h3-6,9,13H,7-8,10-12H2,1-2H3,(H,31,35)(H,32,36)
• InChIKey: QFEXDHYQGXFOLV-UHFFFAOYSA-N
• XLogP: 4.40
• TPSA: 95.92 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	558.39
LogP ≤ 5	4.40
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 2-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[2-(2-methylpropylamino)-2-oxoethyl]-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide (CID 175875999) is 2-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[2-(2-methylpropylamino)-2-oxoethyl]-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide.

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

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

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

The InChIKey is QFEXDHYQGXFOLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24Cl2F3N5O3/c1-13(2)8-31-21(35)10-32-22(36)19-3-14-11-34(12-15(14)9-30-19)20-7-23(37-33-20,24(27,28)29)16-4-17(25)6-18(26)5-16/h3-6,9,13H,7-8,10-12H2,1-2H3,(H,31,35)(H,32,36).

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

2-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[2-(2-methylpropylamino)-2-oxoethyl]-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide has a molecular weight of 558.39 g/mol, XLogP of 4.40, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[2-(2-methylpropylamino)-2-oxoethyl]-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide is sourced from PubChem (CID 175875999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).