2-(5-propan-2-ylpyrazol-1-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide

C23H25N7O2 — CID 90683826

About 2-(5-propan-2-ylpyrazol-1-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide

2-(5-propan-2-ylpyrazol-1-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide (PubChem CID 90683826) has the molecular formula C23H25N7O2 and a molecular weight of 431.50 g/mol. Its IUPAC name is 2-(5-propan-2-ylpyrazol-1-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide.

Molecular Properties

• Compound Name: 2-(5-propan-2-ylpyrazol-1-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide
• PubChem CID: 90683826
• Molecular Formula: C23H25N7O2
• Molecular Weight: 431.50 g/mol
• Exact Mass: 431.21
• IUPAC Name: 2-(5-propan-2-ylpyrazol-1-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide
• SMILES: CC(C)c1ccnn1CC(=O)Nc1cncc(C(=O)c2cn(C(C)C)c3ncncc23)c1
• InChI: InChI=1S/C23H25N7O2/c1-14(2)20-5-6-27-30(20)12-21(31)28-17-7-16(8-24-9-17)22(32)19-11-29(15(3)4)23-18(19)10-25-13-26-23/h5-11,13-15H,12H2,1-4H3,(H,28,31)
• InChIKey: FWYPHGTZSBBPRM-UHFFFAOYSA-N
• XLogP: 3.60
• TPSA: 107.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	431.50
LogP ≤ 5	3.60
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-(5-propan-2-ylpyrazol-1-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide?

The IUPAC name of 2-(5-propan-2-ylpyrazol-1-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide (CID 90683826) is 2-(5-propan-2-ylpyrazol-1-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide.

What is the SMILES notation for 2-(5-propan-2-ylpyrazol-1-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide?

The canonical SMILES for 2-(5-propan-2-ylpyrazol-1-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide is CC(C)c1ccnn1CC(=O)Nc1cncc(C(=O)c2cn(C(C)C)c3ncncc23)c1.

What is the InChIKey of 2-(5-propan-2-ylpyrazol-1-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide?

The InChIKey is FWYPHGTZSBBPRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N7O2/c1-14(2)20-5-6-27-30(20)12-21(31)28-17-7-16(8-24-9-17)22(32)19-11-29(15(3)4)23-18(19)10-25-13-26-23/h5-11,13-15H,12H2,1-4H3,(H,28,31).

What are the key properties of 2-(5-propan-2-ylpyrazol-1-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide?

2-(5-propan-2-ylpyrazol-1-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide has a molecular weight of 431.50 g/mol, XLogP of 3.60, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(5-propan-2-ylpyrazol-1-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide is sourced from PubChem (CID 90683826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).