4-[2-[1-(cyclopropylmethyl)-4-(pyridin-2-ylmethyl)piperazin-2-yl]imidazo[1,2-a]pyridin-5-yl]morpholine;tetrakis(2,2,2-trifluoroacetic acid)

C33H36F12N6O9 — CID 155831488

About 4-[2-[1-(cyclopropylmethyl)-4-(pyridin-2-ylmethyl)piperazin-2-yl]imidazo[1,2-a]pyridin-5-yl]morpholine;tetrakis(2,2,2-trifluoroacetic acid)

4-[2-[1-(cyclopropylmethyl)-4-(pyridin-2-ylmethyl)piperazin-2-yl]imidazo[1,2-a]pyridin-5-yl]morpholine;tetrakis(2,2,2-trifluoroacetic acid) (PubChem CID 155831488) has the molecular formula C33H36F12N6O9 and a molecular weight of 888.66 g/mol. Its IUPAC name is 4-[2-[1-(cyclopropylmethyl)-4-(pyridin-2-ylmethyl)piperazin-2-yl]imidazo[1,2-a]pyridin-5-yl]morpholine;tetrakis(2,2,2-trifluoroacetic acid).

Molecular Properties

• Compound Name: 4-[2-[1-(cyclopropylmethyl)-4-(pyridin-2-ylmethyl)piperazin-2-yl]imidazo[1,2-a]pyridin-5-yl]morpholine;tetrakis(2,2,2-trifluoroacetic acid)
• PubChem CID: 155831488
• Molecular Formula: C33H36F12N6O9
• Molecular Weight: 888.66 g/mol
• Exact Mass: 888.24
• IUPAC Name: 4-[2-[1-(cyclopropylmethyl)-4-(pyridin-2-ylmethyl)piperazin-2-yl]imidazo[1,2-a]pyridin-5-yl]morpholine;tetrakis(2,2,2-trifluoroacetic acid)
• SMILES: O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.c1ccc(CN2CCN(CC3CC3)C(c3cn4c(N5CCOCC5)cccc4n3)C2)nc1
• InChI: InChI=1S/C25H32N6O.4C2HF3O2/c1-2-9-26-21(4-1)17-28-10-11-30(16-20-7-8-20)23(19-28)22-18-31-24(27-22)5-3-6-25(31)29-12-14-32-15-13-29;4*3-2(4,5)1(6)7/h1-6,9,18,20,23H,7-8,10-17,19H2;4*(H,6,7)
• InChIKey: AEKXYNKJJWIECP-UHFFFAOYSA-N
• XLogP: 5.37
• TPSA: 198.34 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 11
• Rotatable Bonds: 6
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	888.66
LogP ≤ 5	5.37
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 4-[2-[1-(cyclopropylmethyl)-4-(pyridin-2-ylmethyl)piperazin-2-yl]imidazo[1,2-a]pyridin-5-yl]morpholine;tetrakis(2,2,2-trifluoroacetic acid)?

The IUPAC name of 4-[2-[1-(cyclopropylmethyl)-4-(pyridin-2-ylmethyl)piperazin-2-yl]imidazo[1,2-a]pyridin-5-yl]morpholine;tetrakis(2,2,2-trifluoroacetic acid) (CID 155831488) is 4-[2-[1-(cyclopropylmethyl)-4-(pyridin-2-ylmethyl)piperazin-2-yl]imidazo[1,2-a]pyridin-5-yl]morpholine;tetrakis(2,2,2-trifluoroacetic acid).

What is the SMILES notation for 4-[2-[1-(cyclopropylmethyl)-4-(pyridin-2-ylmethyl)piperazin-2-yl]imidazo[1,2-a]pyridin-5-yl]morpholine;tetrakis(2,2,2-trifluoroacetic acid)?

The canonical SMILES for 4-[2-[1-(cyclopropylmethyl)-4-(pyridin-2-ylmethyl)piperazin-2-yl]imidazo[1,2-a]pyridin-5-yl]morpholine;tetrakis(2,2,2-trifluoroacetic acid) is O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.c1ccc(CN2CCN(CC3CC3)C(c3cn4c(N5CCOCC5)cccc4n3)C2)nc1.

What is the InChIKey of 4-[2-[1-(cyclopropylmethyl)-4-(pyridin-2-ylmethyl)piperazin-2-yl]imidazo[1,2-a]pyridin-5-yl]morpholine;tetrakis(2,2,2-trifluoroacetic acid)?

The InChIKey is AEKXYNKJJWIECP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N6O.4C2HF3O2/c1-2-9-26-21(4-1)17-28-10-11-30(16-20-7-8-20)23(19-28)22-18-31-24(27-22)5-3-6-25(31)29-12-14-32-15-13-29;4*3-2(4,5)1(6)7/h1-6,9,18,20,23H,7-8,10-17,19H2;4*(H,6,7).

What are the key properties of 4-[2-[1-(cyclopropylmethyl)-4-(pyridin-2-ylmethyl)piperazin-2-yl]imidazo[1,2-a]pyridin-5-yl]morpholine;tetrakis(2,2,2-trifluoroacetic acid)?

4-[2-[1-(cyclopropylmethyl)-4-(pyridin-2-ylmethyl)piperazin-2-yl]imidazo[1,2-a]pyridin-5-yl]morpholine;tetrakis(2,2,2-trifluoroacetic acid) has a molecular weight of 888.66 g/mol, XLogP of 5.37, 6 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-[1-(cyclopropylmethyl)-4-(pyridin-2-ylmethyl)piperazin-2-yl]imidazo[1,2-a]pyridin-5-yl]morpholine;tetrakis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 155831488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).