1-[4-[4-chloro-3-(trifluoromethoxy)phenyl]piperazin-1-yl]-2-[3-(1H-imidazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone;1-[4-[4-chloro-3-(trifluoromethyl)phenyl]piperazin-1-yl]-2-[3-(1H-imidazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone

C44H38Cl2F6N14O3 — CID 160539840

About 1-[4-[4-chloro-3-(trifluoromethoxy)phenyl]piperazin-1-yl]-2-[3-(1H-imidazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone;1-[4-[4-chloro-3-(trifluoromethyl)phenyl]piperazin-1-yl]-2-[3-(1H-imidazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone

1-[4-[4-chloro-3-(trifluoromethoxy)phenyl]piperazin-1-yl]-2-[3-(1H-imidazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone;1-[4-[4-chloro-3-(trifluoromethyl)phenyl]piperazin-1-yl]-2-[3-(1H-imidazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone (PubChem CID 160539840) has the molecular formula C44H38Cl2F6N14O3 and a molecular weight of 995.78 g/mol. Its IUPAC name is 1-[4-[4-chloro-3-(trifluoromethoxy)phenyl]piperazin-1-yl]-2-[3-(1H-imidazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone;1-[4-[4-chloro-3-(trifluoromethyl)phenyl]piperazin-1-yl]-2-[3-(1H-imidazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone.

Molecular Properties

• Compound Name: 1-[4-[4-chloro-3-(trifluoromethoxy)phenyl]piperazin-1-yl]-2-[3-(1H-imidazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone;1-[4-[4-chloro-3-(trifluoromethyl)phenyl]piperazin-1-yl]-2-[3-(1H-imidazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone
• PubChem CID: 160539840
• Molecular Formula: C44H38Cl2F6N14O3
• Molecular Weight: 995.78 g/mol
• Exact Mass: 994.25
• IUPAC Name: 1-[4-[4-chloro-3-(trifluoromethoxy)phenyl]piperazin-1-yl]-2-[3-(1H-imidazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone;1-[4-[4-chloro-3-(trifluoromethyl)phenyl]piperazin-1-yl]-2-[3-(1H-imidazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone
• SMILES: O=C(Cn1nc(-c2ncc[nH]2)c2cccnc21)N1CCN(c2ccc(Cl)c(C(F)(F)F)c2)CC1.O=C(Cn1nc(-c2ncc[nH]2)c2cccnc21)N1CCN(c2ccc(Cl)c(OC(F)(F)F)c2)CC1
• InChI: InChI=1S/C22H19ClF3N7O2.C22H19ClF3N7O/c23-16-4-3-14(12-17(16)35-22(24,25)26)31-8-10-32(11-9-31)18(34)13-33-21-15(2-1-5-29-21)19(30-33)20-27-6-7-28-20;23-17-4-3-14(12-16(17)22(24,25)26)31-8-10-32(11-9-31)18(34)13-33-21-15(2-1-5-29-21)19(30-33)20-27-6-7-28-20/h1-7,12H,8-11,13H2,(H,27,28);1-7,12H,8-11,13H2,(H,27,28)
• InChIKey: QWQGVVQEOJCFME-UHFFFAOYSA-N
• XLogP: 7.56
• TPSA: 175.11 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 13
• Rotatable Bonds: 9
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	995.78
LogP ≤ 5	7.56
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-chloro-3-(trifluoromethoxy)phenyl]piperazin-1-yl]-2-[3-(1H-imidazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone;1-[4-[4-chloro-3-(trifluoromethyl)phenyl]piperazin-1-yl]-2-[3-(1H-imidazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone?

The IUPAC name of 1-[4-[4-chloro-3-(trifluoromethoxy)phenyl]piperazin-1-yl]-2-[3-(1H-imidazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone;1-[4-[4-chloro-3-(trifluoromethyl)phenyl]piperazin-1-yl]-2-[3-(1H-imidazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone (CID 160539840) is 1-[4-[4-chloro-3-(trifluoromethoxy)phenyl]piperazin-1-yl]-2-[3-(1H-imidazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone;1-[4-[4-chloro-3-(trifluoromethyl)phenyl]piperazin-1-yl]-2-[3-(1H-imidazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone.

What is the SMILES notation for 1-[4-[4-chloro-3-(trifluoromethoxy)phenyl]piperazin-1-yl]-2-[3-(1H-imidazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone;1-[4-[4-chloro-3-(trifluoromethyl)phenyl]piperazin-1-yl]-2-[3-(1H-imidazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone?

The canonical SMILES for 1-[4-[4-chloro-3-(trifluoromethoxy)phenyl]piperazin-1-yl]-2-[3-(1H-imidazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone;1-[4-[4-chloro-3-(trifluoromethyl)phenyl]piperazin-1-yl]-2-[3-(1H-imidazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone is O=C(Cn1nc(-c2ncc[nH]2)c2cccnc21)N1CCN(c2ccc(Cl)c(C(F)(F)F)c2)CC1.O=C(Cn1nc(-c2ncc[nH]2)c2cccnc21)N1CCN(c2ccc(Cl)c(OC(F)(F)F)c2)CC1.

What is the InChIKey of 1-[4-[4-chloro-3-(trifluoromethoxy)phenyl]piperazin-1-yl]-2-[3-(1H-imidazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone;1-[4-[4-chloro-3-(trifluoromethyl)phenyl]piperazin-1-yl]-2-[3-(1H-imidazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone?

The InChIKey is QWQGVVQEOJCFME-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClF3N7O2.C22H19ClF3N7O/c23-16-4-3-14(12-17(16)35-22(24,25)26)31-8-10-32(11-9-31)18(34)13-33-21-15(2-1-5-29-21)19(30-33)20-27-6-7-28-20;23-17-4-3-14(12-16(17)22(24,25)26)31-8-10-32(11-9-31)18(34)13-33-21-15(2-1-5-29-21)19(30-33)20-27-6-7-28-20/h1-7,12H,8-11,13H2,(H,27,28);1-7,12H,8-11,13H2,(H,27,28).

What are the key properties of 1-[4-[4-chloro-3-(trifluoromethoxy)phenyl]piperazin-1-yl]-2-[3-(1H-imidazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone;1-[4-[4-chloro-3-(trifluoromethyl)phenyl]piperazin-1-yl]-2-[3-(1H-imidazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone?

1-[4-[4-chloro-3-(trifluoromethoxy)phenyl]piperazin-1-yl]-2-[3-(1H-imidazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone;1-[4-[4-chloro-3-(trifluoromethyl)phenyl]piperazin-1-yl]-2-[3-(1H-imidazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone has a molecular weight of 995.78 g/mol, XLogP of 7.56, 9 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[4-chloro-3-(trifluoromethoxy)phenyl]piperazin-1-yl]-2-[3-(1H-imidazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone;1-[4-[4-chloro-3-(trifluoromethyl)phenyl]piperazin-1-yl]-2-[3-(1H-imidazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone is sourced from PubChem (CID 160539840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).