1-[4-[4-(7-amino-2-imidazo[1,2-a]pyridin-8-ylfuro[2,3-c]pyridin-4-yl)pyrazol-1-yl]piperidin-1-yl]ethanone;bis(2,2,2-trifluoroacetic acid)

C28H25F6N7O6 — CID 87138449

About 1-[4-[4-(7-amino-2-imidazo[1,2-a]pyridin-8-ylfuro[2,3-c]pyridin-4-yl)pyrazol-1-yl]piperidin-1-yl]ethanone;bis(2,2,2-trifluoroacetic acid)

1-[4-[4-(7-amino-2-imidazo[1,2-a]pyridin-8-ylfuro[2,3-c]pyridin-4-yl)pyrazol-1-yl]piperidin-1-yl]ethanone;bis(2,2,2-trifluoroacetic acid) (PubChem CID 87138449) has the molecular formula C28H25F6N7O6 and a molecular weight of 669.54 g/mol. Its IUPAC name is 1-[4-[4-(7-amino-2-imidazo[1,2-a]pyridin-8-ylfuro[2,3-c]pyridin-4-yl)pyrazol-1-yl]piperidin-1-yl]ethanone;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

• Compound Name: 1-[4-[4-(7-amino-2-imidazo[1,2-a]pyridin-8-ylfuro[2,3-c]pyridin-4-yl)pyrazol-1-yl]piperidin-1-yl]ethanone;bis(2,2,2-trifluoroacetic acid)
• PubChem CID: 87138449
• Molecular Formula: C28H25F6N7O6
• Molecular Weight: 669.54 g/mol
• Exact Mass: 669.18
• IUPAC Name: 1-[4-[4-(7-amino-2-imidazo[1,2-a]pyridin-8-ylfuro[2,3-c]pyridin-4-yl)pyrazol-1-yl]piperidin-1-yl]ethanone;bis(2,2,2-trifluoroacetic acid)
• SMILES: CC(=O)N1CCC(n2cc(-c3cnc(N)c4oc(-c5cccn6ccnc56)cc34)cn2)CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
• InChI: InChI=1S/C24H23N7O2.2C2HF3O2/c1-15(32)29-8-4-17(5-9-29)31-14-16(12-28-31)20-13-27-23(25)22-19(20)11-21(33-22)18-3-2-7-30-10-6-26-24(18)30;2*3-2(4,5)1(6)7/h2-3,6-7,10-14,17H,4-5,8-9H2,1H3,(H2,25,27);2*(H,6,7)
• InChIKey: KOXVHYUQTGWESQ-UHFFFAOYSA-N
• XLogP: 5.04
• TPSA: 182.08 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 3
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	669.54
LogP ≤ 5	5.04
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(7-amino-2-imidazo[1,2-a]pyridin-8-ylfuro[2,3-c]pyridin-4-yl)pyrazol-1-yl]piperidin-1-yl]ethanone;bis(2,2,2-trifluoroacetic acid)?

The IUPAC name of 1-[4-[4-(7-amino-2-imidazo[1,2-a]pyridin-8-ylfuro[2,3-c]pyridin-4-yl)pyrazol-1-yl]piperidin-1-yl]ethanone;bis(2,2,2-trifluoroacetic acid) (CID 87138449) is 1-[4-[4-(7-amino-2-imidazo[1,2-a]pyridin-8-ylfuro[2,3-c]pyridin-4-yl)pyrazol-1-yl]piperidin-1-yl]ethanone;bis(2,2,2-trifluoroacetic acid).

What is the SMILES notation for 1-[4-[4-(7-amino-2-imidazo[1,2-a]pyridin-8-ylfuro[2,3-c]pyridin-4-yl)pyrazol-1-yl]piperidin-1-yl]ethanone;bis(2,2,2-trifluoroacetic acid)?

The canonical SMILES for 1-[4-[4-(7-amino-2-imidazo[1,2-a]pyridin-8-ylfuro[2,3-c]pyridin-4-yl)pyrazol-1-yl]piperidin-1-yl]ethanone;bis(2,2,2-trifluoroacetic acid) is CC(=O)N1CCC(n2cc(-c3cnc(N)c4oc(-c5cccn6ccnc56)cc34)cn2)CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.

What is the InChIKey of 1-[4-[4-(7-amino-2-imidazo[1,2-a]pyridin-8-ylfuro[2,3-c]pyridin-4-yl)pyrazol-1-yl]piperidin-1-yl]ethanone;bis(2,2,2-trifluoroacetic acid)?

The InChIKey is KOXVHYUQTGWESQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N7O2.2C2HF3O2/c1-15(32)29-8-4-17(5-9-29)31-14-16(12-28-31)20-13-27-23(25)22-19(20)11-21(33-22)18-3-2-7-30-10-6-26-24(18)30;2*3-2(4,5)1(6)7/h2-3,6-7,10-14,17H,4-5,8-9H2,1H3,(H2,25,27);2*(H,6,7).

What are the key properties of 1-[4-[4-(7-amino-2-imidazo[1,2-a]pyridin-8-ylfuro[2,3-c]pyridin-4-yl)pyrazol-1-yl]piperidin-1-yl]ethanone;bis(2,2,2-trifluoroacetic acid)?

1-[4-[4-(7-amino-2-imidazo[1,2-a]pyridin-8-ylfuro[2,3-c]pyridin-4-yl)pyrazol-1-yl]piperidin-1-yl]ethanone;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 669.54 g/mol, XLogP of 5.04, 3 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[4-(7-amino-2-imidazo[1,2-a]pyridin-8-ylfuro[2,3-c]pyridin-4-yl)pyrazol-1-yl]piperidin-1-yl]ethanone;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 87138449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).