2-ethyl-5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine

C18H20FN5O — CID 150595508

About 2-ethyl-5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine

2-ethyl-5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine (PubChem CID 150595508) has the molecular formula C18H20FN5O and a molecular weight of 341.39 g/mol. Its IUPAC name is 2-ethyl-5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine.

Molecular Properties

• Compound Name: 2-ethyl-5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine
• PubChem CID: 150595508
• Molecular Formula: C18H20FN5O
• Molecular Weight: 341.39 g/mol
• Exact Mass: 341.17
• IUPAC Name: 2-ethyl-5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine
• SMILES: CCc1cc2nc(N3CCC[C@@H]3c3cc(F)cnc3OC)ccn2n1
• InChI: InChI=1S/C18H20FN5O/c1-3-13-10-17-21-16(6-8-24(17)22-13)23-7-4-5-15(23)14-9-12(19)11-20-18(14)25-2/h6,8-11,15H,3-5,7H2,1-2H3/t15-/m1/s1
• InChIKey: IQTNLCDJSBYUEN-OAHLLOKOSA-N
• XLogP: 3.18
• TPSA: 55.55 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	341.39
LogP ≤ 5	3.18
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine?

The IUPAC name of 2-ethyl-5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine (CID 150595508) is 2-ethyl-5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine.

What is the SMILES notation for 2-ethyl-5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine?

The canonical SMILES for 2-ethyl-5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine is CCc1cc2nc(N3CCC[C@@H]3c3cc(F)cnc3OC)ccn2n1.

What is the InChIKey of 2-ethyl-5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine?

The InChIKey is IQTNLCDJSBYUEN-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H20FN5O/c1-3-13-10-17-21-16(6-8-24(17)22-13)23-7-4-5-15(23)14-9-12(19)11-20-18(14)25-2/h6,8-11,15H,3-5,7H2,1-2H3/t15-/m1/s1.

What are the key properties of 2-ethyl-5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine?

2-ethyl-5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine has a molecular weight of 341.39 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-ethyl-5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 150595508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).