N-[[7-(5-fluoropyrimidin-2-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]pyridin-2-amine;bis(2,2,2-trifluoroacetic acid)

C20H18F7N7O4 — CID 118746359

About N-[[7-(5-fluoropyrimidin-2-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]pyridin-2-amine;bis(2,2,2-trifluoroacetic acid)

N-[[7-(5-fluoropyrimidin-2-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]pyridin-2-amine;bis(2,2,2-trifluoroacetic acid) (PubChem CID 118746359) has the molecular formula C20H18F7N7O4 and a molecular weight of 553.40 g/mol. Its IUPAC name is N-[[7-(5-fluoropyrimidin-2-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]pyridin-2-amine;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

• Compound Name: N-[[7-(5-fluoropyrimidin-2-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]pyridin-2-amine;bis(2,2,2-trifluoroacetic acid)
• PubChem CID: 118746359
• Molecular Formula: C20H18F7N7O4
• Molecular Weight: 553.40 g/mol
• Exact Mass: 553.13
• IUPAC Name: N-[[7-(5-fluoropyrimidin-2-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]pyridin-2-amine;bis(2,2,2-trifluoroacetic acid)
• SMILES: Fc1cnc(N2CCn3cc(CNc4ccccn4)nc3C2)nc1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
• InChI: InChI=1S/C16H16FN7.2C2HF3O2/c17-12-7-20-16(21-8-12)24-6-5-23-10-13(22-15(23)11-24)9-19-14-3-1-2-4-18-14;2*3-2(4,5)1(6)7/h1-4,7-8,10H,5-6,9,11H2,(H,18,19);2*(H,6,7)
• InChIKey: ZQRLHUQOXATIPL-UHFFFAOYSA-N
• XLogP: 3.11
• TPSA: 146.36 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 4
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	553.40
LogP ≤ 5	3.11
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[[7-(5-fluoropyrimidin-2-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]pyridin-2-amine;bis(2,2,2-trifluoroacetic acid)?

The IUPAC name of N-[[7-(5-fluoropyrimidin-2-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]pyridin-2-amine;bis(2,2,2-trifluoroacetic acid) (CID 118746359) is N-[[7-(5-fluoropyrimidin-2-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]pyridin-2-amine;bis(2,2,2-trifluoroacetic acid).

What is the SMILES notation for N-[[7-(5-fluoropyrimidin-2-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]pyridin-2-amine;bis(2,2,2-trifluoroacetic acid)?

The canonical SMILES for N-[[7-(5-fluoropyrimidin-2-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]pyridin-2-amine;bis(2,2,2-trifluoroacetic acid) is Fc1cnc(N2CCn3cc(CNc4ccccn4)nc3C2)nc1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.

What is the InChIKey of N-[[7-(5-fluoropyrimidin-2-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]pyridin-2-amine;bis(2,2,2-trifluoroacetic acid)?

The InChIKey is ZQRLHUQOXATIPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN7.2C2HF3O2/c17-12-7-20-16(21-8-12)24-6-5-23-10-13(22-15(23)11-24)9-19-14-3-1-2-4-18-14;2*3-2(4,5)1(6)7/h1-4,7-8,10H,5-6,9,11H2,(H,18,19);2*(H,6,7).

What are the key properties of N-[[7-(5-fluoropyrimidin-2-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]pyridin-2-amine;bis(2,2,2-trifluoroacetic acid)?

N-[[7-(5-fluoropyrimidin-2-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]pyridin-2-amine;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 553.40 g/mol, XLogP of 3.11, 4 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[7-(5-fluoropyrimidin-2-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]pyridin-2-amine;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 118746359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).