(2R)-1-(4-fluorophenyl)-N-[2-[3-[(3R)-pyrrolidin-3-yl]pyrazolo[3,4-b]pyrazin-1-yl]ethyl]propan-2-amine

C20H25FN6 — CID 92582092

About (2R)-1-(4-fluorophenyl)-N-[2-[3-[(3R)-pyrrolidin-3-yl]pyrazolo[3,4-b]pyrazin-1-yl]ethyl]propan-2-amine

(2R)-1-(4-fluorophenyl)-N-[2-[3-[(3R)-pyrrolidin-3-yl]pyrazolo[3,4-b]pyrazin-1-yl]ethyl]propan-2-amine (PubChem CID 92582092) has the molecular formula C20H25FN6 and a molecular weight of 368.46 g/mol. Its IUPAC name is (2R)-1-(4-fluorophenyl)-N-[2-[3-[(3R)-pyrrolidin-3-yl]pyrazolo[3,4-b]pyrazin-1-yl]ethyl]propan-2-amine.

Molecular Properties

• Compound Name: (2R)-1-(4-fluorophenyl)-N-[2-[3-[(3R)-pyrrolidin-3-yl]pyrazolo[3,4-b]pyrazin-1-yl]ethyl]propan-2-amine
• PubChem CID: 92582092
• Molecular Formula: C20H25FN6
• Molecular Weight: 368.46 g/mol
• Exact Mass: 368.21
• IUPAC Name: (2R)-1-(4-fluorophenyl)-N-[2-[3-[(3R)-pyrrolidin-3-yl]pyrazolo[3,4-b]pyrazin-1-yl]ethyl]propan-2-amine
• SMILES: C[C@H](Cc1ccc(F)cc1)NCCn1nc([C@@H]2CCNC2)c2nccnc21
• InChI: InChI=1S/C20H25FN6/c1-14(12-15-2-4-17(21)5-3-15)23-10-11-27-20-19(24-8-9-25-20)18(26-27)16-6-7-22-13-16/h2-5,8-9,14,16,22-23H,6-7,10-13H2,1H3/t14-,16-/m1/s1
• InChIKey: RXNVLQCVSUCOOY-GDBMZVCRSA-N
• XLogP: 2.26
• TPSA: 67.66 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	368.46
LogP ≤ 5	2.26
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(4-fluorophenyl)-N-[2-[3-[(3R)-pyrrolidin-3-yl]pyrazolo[3,4-b]pyrazin-1-yl]ethyl]propan-2-amine?

The IUPAC name of (2R)-1-(4-fluorophenyl)-N-[2-[3-[(3R)-pyrrolidin-3-yl]pyrazolo[3,4-b]pyrazin-1-yl]ethyl]propan-2-amine (CID 92582092) is (2R)-1-(4-fluorophenyl)-N-[2-[3-[(3R)-pyrrolidin-3-yl]pyrazolo[3,4-b]pyrazin-1-yl]ethyl]propan-2-amine.

What is the SMILES notation for (2R)-1-(4-fluorophenyl)-N-[2-[3-[(3R)-pyrrolidin-3-yl]pyrazolo[3,4-b]pyrazin-1-yl]ethyl]propan-2-amine?

The canonical SMILES for (2R)-1-(4-fluorophenyl)-N-[2-[3-[(3R)-pyrrolidin-3-yl]pyrazolo[3,4-b]pyrazin-1-yl]ethyl]propan-2-amine is C[C@H](Cc1ccc(F)cc1)NCCn1nc([C@@H]2CCNC2)c2nccnc21.

What is the InChIKey of (2R)-1-(4-fluorophenyl)-N-[2-[3-[(3R)-pyrrolidin-3-yl]pyrazolo[3,4-b]pyrazin-1-yl]ethyl]propan-2-amine?

The InChIKey is RXNVLQCVSUCOOY-GDBMZVCRSA-N. The full InChI is InChI=1S/C20H25FN6/c1-14(12-15-2-4-17(21)5-3-15)23-10-11-27-20-19(24-8-9-25-20)18(26-27)16-6-7-22-13-16/h2-5,8-9,14,16,22-23H,6-7,10-13H2,1H3/t14-,16-/m1/s1.

What are the key properties of (2R)-1-(4-fluorophenyl)-N-[2-[3-[(3R)-pyrrolidin-3-yl]pyrazolo[3,4-b]pyrazin-1-yl]ethyl]propan-2-amine?

(2R)-1-(4-fluorophenyl)-N-[2-[3-[(3R)-pyrrolidin-3-yl]pyrazolo[3,4-b]pyrazin-1-yl]ethyl]propan-2-amine has a molecular weight of 368.46 g/mol, XLogP of 2.26, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-1-(4-fluorophenyl)-N-[2-[3-[(3R)-pyrrolidin-3-yl]pyrazolo[3,4-b]pyrazin-1-yl]ethyl]propan-2-amine is sourced from PubChem (CID 92582092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).