5-[2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-N-(2-methyl-1H-imidazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C21H21FN8O2 — CID 67501484

About 5-[2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-N-(2-methyl-1H-imidazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

5-[2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-N-(2-methyl-1H-imidazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 67501484) has the molecular formula C21H21FN8O2 and a molecular weight of 436.45 g/mol. Its IUPAC name is 5-[2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-N-(2-methyl-1H-imidazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: 5-[2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-N-(2-methyl-1H-imidazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 67501484
• Molecular Formula: C21H21FN8O2
• Molecular Weight: 436.45 g/mol
• Exact Mass: 436.18
• IUPAC Name: 5-[2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-N-(2-methyl-1H-imidazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: COc1ncc(F)cc1C1CCCN1c1ccn2ncc(C(=O)Nc3cnc(C)[nH]3)c2n1
• InChI: InChI=1S/C21H21FN8O2/c1-12-23-11-17(26-12)27-20(31)15-10-25-30-7-5-18(28-19(15)30)29-6-3-4-16(29)14-8-13(22)9-24-21(14)32-2/h5,7-11,16H,3-4,6H2,1-2H3,(H,23,26)(H,27,31)
• InChIKey: SSWBQAIZXKDMEX-UHFFFAOYSA-N
• XLogP: 2.90
• TPSA: 113.33 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	436.45
LogP ≤ 5	2.90
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-[2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-N-(2-methyl-1H-imidazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of 5-[2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-N-(2-methyl-1H-imidazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 67501484) is 5-[2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-N-(2-methyl-1H-imidazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for 5-[2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-N-(2-methyl-1H-imidazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for 5-[2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-N-(2-methyl-1H-imidazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is COc1ncc(F)cc1C1CCCN1c1ccn2ncc(C(=O)Nc3cnc(C)[nH]3)c2n1.

What is the InChIKey of 5-[2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-N-(2-methyl-1H-imidazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is SSWBQAIZXKDMEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN8O2/c1-12-23-11-17(26-12)27-20(31)15-10-25-30-7-5-18(28-19(15)30)29-6-3-4-16(29)14-8-13(22)9-24-21(14)32-2/h5,7-11,16H,3-4,6H2,1-2H3,(H,23,26)(H,27,31).

What are the key properties of 5-[2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-N-(2-methyl-1H-imidazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

5-[2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-N-(2-methyl-1H-imidazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 436.45 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-N-(2-methyl-1H-imidazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 67501484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).