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

C₂₀H₂₃FN₆O₃ — CID 67500421

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

5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-N-[(2S)-2-hydroxypropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 67500421) has the molecular formula C₂₀H₂₃FN₆O₃ and a molecular weight of 414.44 g/mol. Its IUPAC name is 5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-N-[(2S)-2-hydroxypropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: 5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-N-[(2S)-2-hydroxypropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 67500421
• Molecular Formula: C₂₀H₂₃FN₆O₃
• Molecular Weight: 414.44 g/mol
• Exact Mass: 414.18
• IUPAC Name: 5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-N-[(2S)-2-hydroxypropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: COc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)NC[C@H](C)O)c2n1
• InChI: InChI=1S/C20H23FN6O3/c1-12(28)9-22-19(29)15-11-24-27-7-5-17(25-18(15)27)26-6-3-4-16(26)14-8-13(21)10-23-20(14)30-2/h5,7-8,10-12,16,28H,3-4,6,9H2,1-2H3,(H,22,29)/t12-,16+/m0/s1
• InChIKey: MCGUMEZGZDHGBX-BLLLJJGKSA-N
• XLogP: 1.72
• TPSA: 104.88 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	414.44
LogP ≤ 5	1.72
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-N-[(2S)-2-hydroxypropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 67500421) is 5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-N-[(2S)-2-hydroxypropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

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

The canonical SMILES for 5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-N-[(2S)-2-hydroxypropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is COc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)NC[C@H](C)O)c2n1.

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

The InChIKey is MCGUMEZGZDHGBX-BLLLJJGKSA-N. The full InChI is InChI=1S/C20H23FN6O3/c1-12(28)9-22-19(29)15-11-24-27-7-5-17(25-18(15)27)26-6-3-4-16(26)14-8-13(21)10-23-20(14)30-2/h5,7-8,10-12,16,28H,3-4,6,9H2,1-2H3,(H,22,29)/t12-,16+/m0/s1.

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

5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-N-[(2S)-2-hydroxypropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 414.44 g/mol, XLogP of 1.72, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-N-[(2S)-2-hydroxypropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 67500421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 67500421 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.