2-(1-propan-2-ylpyrazol-3-yl)-N-[4-(3-pyridin-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-2-pyridinyl]acetamide

C25H23N7O — CID 169116040

About 2-(1-propan-2-ylpyrazol-3-yl)-N-[4-(3-pyridin-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-2-pyridinyl]acetamide

2-(1-propan-2-ylpyrazol-3-yl)-N-[4-(3-pyridin-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-2-pyridinyl]acetamide (PubChem CID 169116040) has the molecular formula C25H23N7O and a molecular weight of 437.51 g/mol. Its IUPAC name is 2-(1-propan-2-ylpyrazol-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-propan-2-ylpyrazol-3-yl)-N-[4-(3-pyridin-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-2-pyridinyl]acetamide
• PubChem CID: 169116040
• Molecular Formula: C25H23N7O
• Molecular Weight: 437.51 g/mol
• Exact Mass: 437.20
• IUPAC Name: 2-(1-propan-2-ylpyrazol-3-yl)-N-[4-(3-pyridin-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-2-pyridinyl]acetamide
• SMILES: CC(C)n1ccc(CC(=O)Nc2cc(-c3[nH]c4cccnc4c3-c3ccccn3)ccn2)n1
• InChI: InChI=1S/C25H23N7O/c1-16(2)32-13-9-18(31-32)15-22(33)30-21-14-17(8-12-27-21)24-23(19-6-3-4-10-26-19)25-20(29-24)7-5-11-28-25/h3-14,16,29H,15H2,1-2H3,(H,27,30,33)
• InChIKey: WWXQFSIZULKTBJ-UHFFFAOYSA-N
• XLogP: 4.65
• TPSA: 101.38 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	437.51
LogP ≤ 5	4.65
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-(1-propan-2-ylpyrazol-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-propan-2-ylpyrazol-3-yl)-N-[4-(3-pyridin-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-2-pyridinyl]acetamide (CID 169116040) is 2-(1-propan-2-ylpyrazol-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-propan-2-ylpyrazol-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-propan-2-ylpyrazol-3-yl)-N-[4-(3-pyridin-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-2-pyridinyl]acetamide is CC(C)n1ccc(CC(=O)Nc2cc(-c3[nH]c4cccnc4c3-c3ccccn3)ccn2)n1.

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

The InChIKey is WWXQFSIZULKTBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N7O/c1-16(2)32-13-9-18(31-32)15-22(33)30-21-14-17(8-12-27-21)24-23(19-6-3-4-10-26-19)25-20(29-24)7-5-11-28-25/h3-14,16,29H,15H2,1-2H3,(H,27,30,33).

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

2-(1-propan-2-ylpyrazol-3-yl)-N-[4-(3-pyridin-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-2-pyridinyl]acetamide has a molecular weight of 437.51 g/mol, XLogP of 4.65, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1-propan-2-ylpyrazol-3-yl)-N-[4-(3-pyridin-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-2-pyridinyl]acetamide is sourced from PubChem (CID 169116040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).