2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-[4-(3-pyridin-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-2-pyridinyl]acetamide

C24H18F3N7O — CID 169116054

About 2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-[4-(3-pyridin-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-2-pyridinyl]acetamide

2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-[4-(3-pyridin-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-2-pyridinyl]acetamide (PubChem CID 169116054) has the molecular formula C24H18F3N7O and a molecular weight of 477.45 g/mol. Its IUPAC name is 2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-[4-(3-pyridin-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-2-pyridinyl]acetamide.

Molecular Properties

• Compound Name: 2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-[4-(3-pyridin-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-2-pyridinyl]acetamide
• PubChem CID: 169116054
• Molecular Formula: C24H18F3N7O
• Molecular Weight: 477.45 g/mol
• Exact Mass: 477.15
• IUPAC Name: 2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-[4-(3-pyridin-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-2-pyridinyl]acetamide
• SMILES: Cn1nc(CC(=O)Nc2cc(-c3[nH]c4cccnc4c3-c3ccccn3)ccn2)cc1C(F)(F)F
• InChI: InChI=1S/C24H18F3N7O/c1-34-18(24(25,26)27)12-15(33-34)13-20(35)32-19-11-14(7-10-29-19)22-21(16-5-2-3-8-28-16)23-17(31-22)6-4-9-30-23/h2-12,31H,13H2,1H3,(H,29,32,35)
• InChIKey: UASMATGCQULMCR-UHFFFAOYSA-N
• XLogP: 4.62
• TPSA: 101.38 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	477.45
LogP ≤ 5	4.62
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-[4-(3-pyridin-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-2-pyridinyl]acetamide?

The IUPAC name of 2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-[4-(3-pyridin-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-2-pyridinyl]acetamide (CID 169116054) is 2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-[4-(3-pyridin-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-2-pyridinyl]acetamide.

What is the SMILES notation for 2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-[4-(3-pyridin-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-2-pyridinyl]acetamide?

The canonical SMILES for 2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-[4-(3-pyridin-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-2-pyridinyl]acetamide is Cn1nc(CC(=O)Nc2cc(-c3[nH]c4cccnc4c3-c3ccccn3)ccn2)cc1C(F)(F)F.

What is the InChIKey of 2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-[4-(3-pyridin-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-2-pyridinyl]acetamide?

The InChIKey is UASMATGCQULMCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F3N7O/c1-34-18(24(25,26)27)12-15(33-34)13-20(35)32-19-11-14(7-10-29-19)22-21(16-5-2-3-8-28-16)23-17(31-22)6-4-9-30-23/h2-12,31H,13H2,1H3,(H,29,32,35).

What are the key properties of 2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-[4-(3-pyridin-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-2-pyridinyl]acetamide?

2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-[4-(3-pyridin-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-2-pyridinyl]acetamide has a molecular weight of 477.45 g/mol, XLogP of 4.62, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-[4-(3-pyridin-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-2-pyridinyl]acetamide is sourced from PubChem (CID 169116054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).