5-(6-methoxy-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)-N-methyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C20H23N7O2 — CID 146570308

About 5-(6-methoxy-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)-N-methyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

5-(6-methoxy-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)-N-methyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 146570308) has the molecular formula C20H23N7O2 and a molecular weight of 393.45 g/mol. Its IUPAC name is 5-(6-methoxy-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)-N-methyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: 5-(6-methoxy-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)-N-methyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 146570308
• Molecular Formula: C20H23N7O2
• Molecular Weight: 393.45 g/mol
• Exact Mass: 393.19
• IUPAC Name: 5-(6-methoxy-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)-N-methyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: CNC(=O)c1cnn2c(NC)cc(-c3cn(C(C)C)c4nc(OC)ccc34)nc12
• InChI: InChI=1S/C20H23N7O2/c1-11(2)26-10-14(12-6-7-17(29-5)25-18(12)26)15-8-16(21-3)27-19(24-15)13(9-23-27)20(28)22-4/h6-11,21H,1-5H3,(H,22,28)
• InChIKey: KDLYEASLJALEDX-UHFFFAOYSA-N
• XLogP: 2.74
• TPSA: 98.37 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	393.45
LogP ≤ 5	2.74
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-(6-methoxy-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)-N-methyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of 5-(6-methoxy-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)-N-methyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 146570308) is 5-(6-methoxy-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)-N-methyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for 5-(6-methoxy-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)-N-methyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for 5-(6-methoxy-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)-N-methyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNC(=O)c1cnn2c(NC)cc(-c3cn(C(C)C)c4nc(OC)ccc34)nc12.

What is the InChIKey of 5-(6-methoxy-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)-N-methyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is KDLYEASLJALEDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N7O2/c1-11(2)26-10-14(12-6-7-17(29-5)25-18(12)26)15-8-16(21-3)27-19(24-15)13(9-23-27)20(28)22-4/h6-11,21H,1-5H3,(H,22,28).

What are the key properties of 5-(6-methoxy-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)-N-methyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

5-(6-methoxy-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)-N-methyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 393.45 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(6-methoxy-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)-N-methyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 146570308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).