2-[1-cyclopropyl-3-(trifluoromethyl)pyrazol-4-yl]-N-[2-(1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carbonyl)-4-pyridinyl]acetamide

C₂₅H₂₃F₃N₆O₂ — CID 121231225

About 2-[1-cyclopropyl-3-(trifluoromethyl)pyrazol-4-yl]-N-[2-(1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carbonyl)-4-pyridinyl]acetamide

2-[1-cyclopropyl-3-(trifluoromethyl)pyrazol-4-yl]-N-[2-(1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carbonyl)-4-pyridinyl]acetamide (PubChem CID 121231225) has the molecular formula C₂₅H₂₃F₃N₆O₂ and a molecular weight of 496.49 g/mol. Its IUPAC name is 2-[1-cyclopropyl-3-(trifluoromethyl)pyrazol-4-yl]-N-[2-(1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carbonyl)-4-pyridinyl]acetamide.

Molecular Properties

• Compound Name: 2-[1-cyclopropyl-3-(trifluoromethyl)pyrazol-4-yl]-N-[2-(1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carbonyl)-4-pyridinyl]acetamide
• PubChem CID: 121231225
• Molecular Formula: C₂₅H₂₃F₃N₆O₂
• Molecular Weight: 496.49 g/mol
• Exact Mass: 496.18
• IUPAC Name: 2-[1-cyclopropyl-3-(trifluoromethyl)pyrazol-4-yl]-N-[2-(1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carbonyl)-4-pyridinyl]acetamide
• SMILES: CC(C)n1cc(C(=O)c2cc(NC(=O)Cc3cn(C4CC4)nc3C(F)(F)F)ccn2)c2cnccc21
• InChI: InChI=1S/C25H23F3N6O2/c1-14(2)33-13-19(18-11-29-7-6-21(18)33)23(36)20-10-16(5-8-30-20)31-22(35)9-15-12-34(17-3-4-17)32-24(15)25(26,27)28/h5-8,10-14,17H,3-4,9H2,1-2H3,(H,30,31,35)
• InChIKey: MHCHSTGTRDTLPD-UHFFFAOYSA-N
• XLogP: 4.97
• TPSA: 94.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	496.49
LogP ≤ 5	4.97
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[1-cyclopropyl-3-(trifluoromethyl)pyrazol-4-yl]-N-[2-(1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carbonyl)-4-pyridinyl]acetamide?

The IUPAC name of 2-[1-cyclopropyl-3-(trifluoromethyl)pyrazol-4-yl]-N-[2-(1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carbonyl)-4-pyridinyl]acetamide (CID 121231225) is 2-[1-cyclopropyl-3-(trifluoromethyl)pyrazol-4-yl]-N-[2-(1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carbonyl)-4-pyridinyl]acetamide.

What is the SMILES notation for 2-[1-cyclopropyl-3-(trifluoromethyl)pyrazol-4-yl]-N-[2-(1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carbonyl)-4-pyridinyl]acetamide?

The canonical SMILES for 2-[1-cyclopropyl-3-(trifluoromethyl)pyrazol-4-yl]-N-[2-(1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carbonyl)-4-pyridinyl]acetamide is CC(C)n1cc(C(=O)c2cc(NC(=O)Cc3cn(C4CC4)nc3C(F)(F)F)ccn2)c2cnccc21.

What is the InChIKey of 2-[1-cyclopropyl-3-(trifluoromethyl)pyrazol-4-yl]-N-[2-(1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carbonyl)-4-pyridinyl]acetamide?

The InChIKey is MHCHSTGTRDTLPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F3N6O2/c1-14(2)33-13-19(18-11-29-7-6-21(18)33)23(36)20-10-16(5-8-30-20)31-22(35)9-15-12-34(17-3-4-17)32-24(15)25(26,27)28/h5-8,10-14,17H,3-4,9H2,1-2H3,(H,30,31,35).

What are the key properties of 2-[1-cyclopropyl-3-(trifluoromethyl)pyrazol-4-yl]-N-[2-(1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carbonyl)-4-pyridinyl]acetamide?

2-[1-cyclopropyl-3-(trifluoromethyl)pyrazol-4-yl]-N-[2-(1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carbonyl)-4-pyridinyl]acetamide has a molecular weight of 496.49 g/mol, XLogP of 4.97, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-cyclopropyl-3-(trifluoromethyl)pyrazol-4-yl]-N-[2-(1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carbonyl)-4-pyridinyl]acetamide is sourced from PubChem (CID 121231225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 121231225 — identifiers, structure, computed properties (public domain)

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