ethane;1,1,1-trifluoro-2-[3-[6-(pyrrolidin-3-ylamino)pyrazin-2-yl]imidazo[1,2-a]pyrazin-6-yl]propan-2-ol

C19H24F3N7O — CID 167450098

About ethane;1,1,1-trifluoro-2-[3-[6-(pyrrolidin-3-ylamino)pyrazin-2-yl]imidazo[1,2-a]pyrazin-6-yl]propan-2-ol

ethane;1,1,1-trifluoro-2-[3-[6-(pyrrolidin-3-ylamino)pyrazin-2-yl]imidazo[1,2-a]pyrazin-6-yl]propan-2-ol (PubChem CID 167450098) has the molecular formula C19H24F3N7O and a molecular weight of 423.44 g/mol. Its IUPAC name is ethane;1,1,1-trifluoro-2-[3-[6-(pyrrolidin-3-ylamino)pyrazin-2-yl]imidazo[1,2-a]pyrazin-6-yl]propan-2-ol.

Molecular Properties

• Compound Name: ethane;1,1,1-trifluoro-2-[3-[6-(pyrrolidin-3-ylamino)pyrazin-2-yl]imidazo[1,2-a]pyrazin-6-yl]propan-2-ol
• PubChem CID: 167450098
• Molecular Formula: C19H24F3N7O
• Molecular Weight: 423.44 g/mol
• Exact Mass: 423.20
• IUPAC Name: ethane;1,1,1-trifluoro-2-[3-[6-(pyrrolidin-3-ylamino)pyrazin-2-yl]imidazo[1,2-a]pyrazin-6-yl]propan-2-ol
• SMILES: CC.CC(O)(c1cn2c(-c3cncc(NC4CCNC4)n3)cnc2cn1)C(F)(F)F
• InChI: InChI=1S/C17H18F3N7O.C2H6/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;1-2/h5-10,21,28H,2-4H2,1H3,(H,25,26);1-2H3
• InChIKey: TYBJJWRBZJEJEB-UHFFFAOYSA-N
• XLogP: 2.76
• TPSA: 100.26 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	423.44
LogP ≤ 5	2.76
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of ethane;1,1,1-trifluoro-2-[3-[6-(pyrrolidin-3-ylamino)pyrazin-2-yl]imidazo[1,2-a]pyrazin-6-yl]propan-2-ol (CID 167450098) is ethane;1,1,1-trifluoro-2-[3-[6-(pyrrolidin-3-ylamino)pyrazin-2-yl]imidazo[1,2-a]pyrazin-6-yl]propan-2-ol.

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

The canonical SMILES for ethane;1,1,1-trifluoro-2-[3-[6-(pyrrolidin-3-ylamino)pyrazin-2-yl]imidazo[1,2-a]pyrazin-6-yl]propan-2-ol is CC.CC(O)(c1cn2c(-c3cncc(NC4CCNC4)n3)cnc2cn1)C(F)(F)F.

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

The InChIKey is TYBJJWRBZJEJEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N7O.C2H6/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;1-2/h5-10,21,28H,2-4H2,1H3,(H,25,26);1-2H3.

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

ethane;1,1,1-trifluoro-2-[3-[6-(pyrrolidin-3-ylamino)pyrazin-2-yl]imidazo[1,2-a]pyrazin-6-yl]propan-2-ol has a molecular weight of 423.44 g/mol, XLogP of 2.76, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;1,1,1-trifluoro-2-[3-[6-(pyrrolidin-3-ylamino)pyrazin-2-yl]imidazo[1,2-a]pyrazin-6-yl]propan-2-ol is sourced from PubChem (CID 167450098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).