3-[5-[(2R)-3-methyl-2-(2,2,2-trifluoroethylcarbamoyl)butyl]-3-pyridinyl]-N-(1H-pyrazol-5-ylmethyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide

C25H26F3N7O2 — CID 147007887

About 3-[5-[(2R)-3-methyl-2-(2,2,2-trifluoroethylcarbamoyl)butyl]-3-pyridinyl]-N-(1H-pyrazol-5-ylmethyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide

3-[5-[(2R)-3-methyl-2-(2,2,2-trifluoroethylcarbamoyl)butyl]-3-pyridinyl]-N-(1H-pyrazol-5-ylmethyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide (PubChem CID 147007887) has the molecular formula C25H26F3N7O2 and a molecular weight of 513.52 g/mol. Its IUPAC name is 3-[5-[(2R)-3-methyl-2-(2,2,2-trifluoroethylcarbamoyl)butyl]-3-pyridinyl]-N-(1H-pyrazol-5-ylmethyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide.

Molecular Properties

• Compound Name: 3-[5-[(2R)-3-methyl-2-(2,2,2-trifluoroethylcarbamoyl)butyl]-3-pyridinyl]-N-(1H-pyrazol-5-ylmethyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
• PubChem CID: 147007887
• Molecular Formula: C25H26F3N7O2
• Molecular Weight: 513.52 g/mol
• Exact Mass: 513.21
• IUPAC Name: 3-[5-[(2R)-3-methyl-2-(2,2,2-trifluoroethylcarbamoyl)butyl]-3-pyridinyl]-N-(1H-pyrazol-5-ylmethyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
• SMILES: CC(C)[C@@H](Cc1cncc(-c2c[nH]c3ncc(C(=O)NCc4ccn[nH]4)cc23)c1)C(=O)NCC(F)(F)F
• InChI: InChI=1S/C25H26F3N7O2/c1-14(2)19(24(37)33-13-25(26,27)28)6-15-5-16(9-29-8-15)21-12-31-22-20(21)7-17(10-30-22)23(36)32-11-18-3-4-34-35-18/h3-5,7-10,12,14,19H,6,11,13H2,1-2H3,(H,30,31)(H,32,36)(H,33,37)(H,34,35)/t19-/m1/s1
• InChIKey: ATHUIWQAHSWSJT-LJQANCHMSA-N
• XLogP: 3.77
• TPSA: 128.45 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	513.52
LogP ≤ 5	3.77
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-[5-[(2R)-3-methyl-2-(2,2,2-trifluoroethylcarbamoyl)butyl]-3-pyridinyl]-N-(1H-pyrazol-5-ylmethyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?

The IUPAC name of 3-[5-[(2R)-3-methyl-2-(2,2,2-trifluoroethylcarbamoyl)butyl]-3-pyridinyl]-N-(1H-pyrazol-5-ylmethyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide (CID 147007887) is 3-[5-[(2R)-3-methyl-2-(2,2,2-trifluoroethylcarbamoyl)butyl]-3-pyridinyl]-N-(1H-pyrazol-5-ylmethyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide.

What is the SMILES notation for 3-[5-[(2R)-3-methyl-2-(2,2,2-trifluoroethylcarbamoyl)butyl]-3-pyridinyl]-N-(1H-pyrazol-5-ylmethyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?

The canonical SMILES for 3-[5-[(2R)-3-methyl-2-(2,2,2-trifluoroethylcarbamoyl)butyl]-3-pyridinyl]-N-(1H-pyrazol-5-ylmethyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide is CC(C)[C@@H](Cc1cncc(-c2c[nH]c3ncc(C(=O)NCc4ccn[nH]4)cc23)c1)C(=O)NCC(F)(F)F.

What is the InChIKey of 3-[5-[(2R)-3-methyl-2-(2,2,2-trifluoroethylcarbamoyl)butyl]-3-pyridinyl]-N-(1H-pyrazol-5-ylmethyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?

The InChIKey is ATHUIWQAHSWSJT-LJQANCHMSA-N. The full InChI is InChI=1S/C25H26F3N7O2/c1-14(2)19(24(37)33-13-25(26,27)28)6-15-5-16(9-29-8-15)21-12-31-22-20(21)7-17(10-30-22)23(36)32-11-18-3-4-34-35-18/h3-5,7-10,12,14,19H,6,11,13H2,1-2H3,(H,30,31)(H,32,36)(H,33,37)(H,34,35)/t19-/m1/s1.

What are the key properties of 3-[5-[(2R)-3-methyl-2-(2,2,2-trifluoroethylcarbamoyl)butyl]-3-pyridinyl]-N-(1H-pyrazol-5-ylmethyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?

3-[5-[(2R)-3-methyl-2-(2,2,2-trifluoroethylcarbamoyl)butyl]-3-pyridinyl]-N-(1H-pyrazol-5-ylmethyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide has a molecular weight of 513.52 g/mol, XLogP of 3.77, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[5-[(2R)-3-methyl-2-(2,2,2-trifluoroethylcarbamoyl)butyl]-3-pyridinyl]-N-(1H-pyrazol-5-ylmethyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide is sourced from PubChem (CID 147007887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).