N-(2-cyclopropylethyl)-6-[5-[2-(trifluoromethyl)benzoyl]-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-2-yl]pyridine-3-carboxamide

C25H25F3N4O2 — CID 25105830

About N-(2-cyclopropylethyl)-6-[5-[2-(trifluoromethyl)benzoyl]-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-2-yl]pyridine-3-carboxamide

N-(2-cyclopropylethyl)-6-[5-[2-(trifluoromethyl)benzoyl]-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-2-yl]pyridine-3-carboxamide (PubChem CID 25105830) has the molecular formula C25H25F3N4O2 and a molecular weight of 470.50 g/mol. Its IUPAC name is N-(2-cyclopropylethyl)-6-[5-[2-(trifluoromethyl)benzoyl]-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-2-yl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-(2-cyclopropylethyl)-6-[5-[2-(trifluoromethyl)benzoyl]-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-2-yl]pyridine-3-carboxamide
• PubChem CID: 25105830
• Molecular Formula: C25H25F3N4O2
• Molecular Weight: 470.50 g/mol
• Exact Mass: 470.19
• IUPAC Name: N-(2-cyclopropylethyl)-6-[5-[2-(trifluoromethyl)benzoyl]-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-2-yl]pyridine-3-carboxamide
• SMILES: O=C(NCCC1CC1)c1ccc(N2CC3=C(CN(C(=O)c4ccccc4C(F)(F)F)C3)C2)nc1
• InChI: InChI=1S/C25H25F3N4O2/c26-25(27,28)21-4-2-1-3-20(21)24(34)32-14-18-12-31(13-19(18)15-32)22-8-7-17(11-30-22)23(33)29-10-9-16-5-6-16/h1-4,7-8,11,16H,5-6,9-10,12-15H2,(H,29,33)
• InChIKey: UFGVTPJDUNVYBY-UHFFFAOYSA-N
• XLogP: 3.90
• TPSA: 65.54 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	470.50
LogP ≤ 5	3.90
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropylethyl)-6-[5-[2-(trifluoromethyl)benzoyl]-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-2-yl]pyridine-3-carboxamide?

The IUPAC name of N-(2-cyclopropylethyl)-6-[5-[2-(trifluoromethyl)benzoyl]-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-2-yl]pyridine-3-carboxamide (CID 25105830) is N-(2-cyclopropylethyl)-6-[5-[2-(trifluoromethyl)benzoyl]-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-2-yl]pyridine-3-carboxamide.

What is the SMILES notation for N-(2-cyclopropylethyl)-6-[5-[2-(trifluoromethyl)benzoyl]-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-2-yl]pyridine-3-carboxamide?

The canonical SMILES for N-(2-cyclopropylethyl)-6-[5-[2-(trifluoromethyl)benzoyl]-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-2-yl]pyridine-3-carboxamide is O=C(NCCC1CC1)c1ccc(N2CC3=C(CN(C(=O)c4ccccc4C(F)(F)F)C3)C2)nc1.

What is the InChIKey of N-(2-cyclopropylethyl)-6-[5-[2-(trifluoromethyl)benzoyl]-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-2-yl]pyridine-3-carboxamide?

The InChIKey is UFGVTPJDUNVYBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F3N4O2/c26-25(27,28)21-4-2-1-3-20(21)24(34)32-14-18-12-31(13-19(18)15-32)22-8-7-17(11-30-22)23(33)29-10-9-16-5-6-16/h1-4,7-8,11,16H,5-6,9-10,12-15H2,(H,29,33).

What are the key properties of N-(2-cyclopropylethyl)-6-[5-[2-(trifluoromethyl)benzoyl]-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-2-yl]pyridine-3-carboxamide?

N-(2-cyclopropylethyl)-6-[5-[2-(trifluoromethyl)benzoyl]-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-2-yl]pyridine-3-carboxamide has a molecular weight of 470.50 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-cyclopropylethyl)-6-[5-[2-(trifluoromethyl)benzoyl]-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 25105830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).