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

C20H23FN6O2 — CID 67501570

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

5-[2-(5-fluoro-2-methyl-3-pyridinyl)pyrrolidin-1-yl]-N-(2-hydroxypropyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 67501570) has the molecular formula C20H23FN6O2 and a molecular weight of 398.44 g/mol. Its IUPAC name is 5-[2-(5-fluoro-2-methyl-3-pyridinyl)pyrrolidin-1-yl]-N-(2-hydroxypropyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: 5-[2-(5-fluoro-2-methyl-3-pyridinyl)pyrrolidin-1-yl]-N-(2-hydroxypropyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 67501570
• Molecular Formula: C20H23FN6O2
• Molecular Weight: 398.44 g/mol
• Exact Mass: 398.19
• IUPAC Name: 5-[2-(5-fluoro-2-methyl-3-pyridinyl)pyrrolidin-1-yl]-N-(2-hydroxypropyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: Cc1ncc(F)cc1C1CCCN1c1ccn2ncc(C(=O)NCC(C)O)c2n1
• InChI: InChI=1S/C20H23FN6O2/c1-12(28)9-23-20(29)16-11-24-27-7-5-18(25-19(16)27)26-6-3-4-17(26)15-8-14(21)10-22-13(15)2/h5,7-8,10-12,17,28H,3-4,6,9H2,1-2H3,(H,23,29)
• InChIKey: KKTZVZNGYWEPCI-UHFFFAOYSA-N
• XLogP: 2.02
• TPSA: 95.65 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	398.44
LogP ≤ 5	2.02
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 5-[2-(5-fluoro-2-methyl-3-pyridinyl)pyrrolidin-1-yl]-N-(2-hydroxypropyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 67501570) is 5-[2-(5-fluoro-2-methyl-3-pyridinyl)pyrrolidin-1-yl]-N-(2-hydroxypropyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

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

The canonical SMILES for 5-[2-(5-fluoro-2-methyl-3-pyridinyl)pyrrolidin-1-yl]-N-(2-hydroxypropyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1ncc(F)cc1C1CCCN1c1ccn2ncc(C(=O)NCC(C)O)c2n1.

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

The InChIKey is KKTZVZNGYWEPCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN6O2/c1-12(28)9-23-20(29)16-11-24-27-7-5-18(25-19(16)27)26-6-3-4-17(26)15-8-14(21)10-22-13(15)2/h5,7-8,10-12,17,28H,3-4,6,9H2,1-2H3,(H,23,29).

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

5-[2-(5-fluoro-2-methyl-3-pyridinyl)pyrrolidin-1-yl]-N-(2-hydroxypropyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 398.44 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-(5-fluoro-2-methyl-3-pyridinyl)pyrrolidin-1-yl]-N-(2-hydroxypropyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 67501570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).