1-[5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]imidazol-2-amine

C₁₉H₁₉FN₈O — CID 156771478

About 1-[5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]imidazol-2-amine

1-[5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]imidazol-2-amine (PubChem CID 156771478) has the molecular formula C₁₉H₁₉FN₈O and a molecular weight of 394.41 g/mol. Its IUPAC name is 1-[5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]imidazol-2-amine.

Molecular Properties

• Compound Name: 1-[5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]imidazol-2-amine
• PubChem CID: 156771478
• Molecular Formula: C₁₉H₁₉FN₈O
• Molecular Weight: 394.41 g/mol
• Exact Mass: 394.17
• IUPAC Name: 1-[5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]imidazol-2-amine
• SMILES: COc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(-n3ccnc3N)c2n1
• InChI: InChI=1S/C19H19FN8O/c1-29-18-13(9-12(20)10-23-18)14-3-2-6-26(14)16-4-7-28-17(25-16)15(11-24-28)27-8-5-22-19(27)21/h4-5,7-11,14H,2-3,6H2,1H3,(H2,21,22)/t14-/m1/s1
• InChIKey: APCYAHIBLDCHND-CQSZACIVSA-N
• XLogP: 2.38
• TPSA: 99.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	394.41
LogP ≤ 5	2.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of 1-[5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]imidazol-2-amine (CID 156771478) is 1-[5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]imidazol-2-amine.

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

The canonical SMILES for 1-[5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]imidazol-2-amine is COc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(-n3ccnc3N)c2n1.

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

The InChIKey is APCYAHIBLDCHND-CQSZACIVSA-N. The full InChI is InChI=1S/C19H19FN8O/c1-29-18-13(9-12(20)10-23-18)14-3-2-6-26(14)16-4-7-28-17(25-16)15(11-24-28)27-8-5-22-19(27)21/h4-5,7-11,14H,2-3,6H2,1H3,(H2,21,22)/t14-/m1/s1.

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

1-[5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]imidazol-2-amine has a molecular weight of 394.41 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]imidazol-2-amine is sourced from PubChem (CID 156771478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 156771478 — identifiers, structure, computed properties (public domain)

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