1,1,1-trifluoro-2-[3-[6-[[(3R)-pyrrolidin-3-yl]amino]pyrazin-2-yl]imidazo[1,2-a]pyrazin-6-yl]propan-2-ol

C17H18F3N7O — CID 170591525

About 1,1,1-trifluoro-2-[3-[6-[[(3R)-pyrrolidin-3-yl]amino]pyrazin-2-yl]imidazo[1,2-a]pyrazin-6-yl]propan-2-ol

1,1,1-trifluoro-2-[3-[6-[[(3R)-pyrrolidin-3-yl]amino]pyrazin-2-yl]imidazo[1,2-a]pyrazin-6-yl]propan-2-ol (PubChem CID 170591525) has the molecular formula C17H18F3N7O and a molecular weight of 393.37 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-[3-[6-[[(3R)-pyrrolidin-3-yl]amino]pyrazin-2-yl]imidazo[1,2-a]pyrazin-6-yl]propan-2-ol.

Molecular Properties

• Compound Name: 1,1,1-trifluoro-2-[3-[6-[[(3R)-pyrrolidin-3-yl]amino]pyrazin-2-yl]imidazo[1,2-a]pyrazin-6-yl]propan-2-ol
• PubChem CID: 170591525
• Molecular Formula: C17H18F3N7O
• Molecular Weight: 393.37 g/mol
• Exact Mass: 393.15
• IUPAC Name: 1,1,1-trifluoro-2-[3-[6-[[(3R)-pyrrolidin-3-yl]amino]pyrazin-2-yl]imidazo[1,2-a]pyrazin-6-yl]propan-2-ol
• SMILES: CC(O)(c1cn2c(-c3cncc(N[C@@H]4CCNC4)n3)cnc2cn1)C(F)(F)F
• InChI: InChI=1S/C17H18F3N7O/c1-16(28,17(18,19)20)13-9-27-12(6-24-15(27)8-23-13)11-5-22-7-14(26-11)25-10-2-3-21-4-10/h5-10,21,28H,2-4H2,1H3,(H,25,26)/t10-,16?/m1/s1
• InChIKey: OAFFTALAGCGHKA-HQNRFAHOSA-N
• XLogP: 1.73
• TPSA: 100.26 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	393.37
LogP ≤ 5	1.73
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-2-[3-[6-[[(3R)-pyrrolidin-3-yl]amino]pyrazin-2-yl]imidazo[1,2-a]pyrazin-6-yl]propan-2-ol?

The IUPAC name of 1,1,1-trifluoro-2-[3-[6-[[(3R)-pyrrolidin-3-yl]amino]pyrazin-2-yl]imidazo[1,2-a]pyrazin-6-yl]propan-2-ol (CID 170591525) is 1,1,1-trifluoro-2-[3-[6-[[(3R)-pyrrolidin-3-yl]amino]pyrazin-2-yl]imidazo[1,2-a]pyrazin-6-yl]propan-2-ol.

What is the SMILES notation for 1,1,1-trifluoro-2-[3-[6-[[(3R)-pyrrolidin-3-yl]amino]pyrazin-2-yl]imidazo[1,2-a]pyrazin-6-yl]propan-2-ol?

The canonical SMILES for 1,1,1-trifluoro-2-[3-[6-[[(3R)-pyrrolidin-3-yl]amino]pyrazin-2-yl]imidazo[1,2-a]pyrazin-6-yl]propan-2-ol is CC(O)(c1cn2c(-c3cncc(N[C@@H]4CCNC4)n3)cnc2cn1)C(F)(F)F.

What is the InChIKey of 1,1,1-trifluoro-2-[3-[6-[[(3R)-pyrrolidin-3-yl]amino]pyrazin-2-yl]imidazo[1,2-a]pyrazin-6-yl]propan-2-ol?

The InChIKey is OAFFTALAGCGHKA-HQNRFAHOSA-N. The full InChI is InChI=1S/C17H18F3N7O/c1-16(28,17(18,19)20)13-9-27-12(6-24-15(27)8-23-13)11-5-22-7-14(26-11)25-10-2-3-21-4-10/h5-10,21,28H,2-4H2,1H3,(H,25,26)/t10-,16?/m1/s1.

What are the key properties of 1,1,1-trifluoro-2-[3-[6-[[(3R)-pyrrolidin-3-yl]amino]pyrazin-2-yl]imidazo[1,2-a]pyrazin-6-yl]propan-2-ol?

1,1,1-trifluoro-2-[3-[6-[[(3R)-pyrrolidin-3-yl]amino]pyrazin-2-yl]imidazo[1,2-a]pyrazin-6-yl]propan-2-ol has a molecular weight of 393.37 g/mol, XLogP of 1.73, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1,1,1-trifluoro-2-[3-[6-[[(3R)-pyrrolidin-3-yl]amino]pyrazin-2-yl]imidazo[1,2-a]pyrazin-6-yl]propan-2-ol is sourced from PubChem (CID 170591525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).