N-[1-(2,4-dichlorophenyl)ethyl]-6-[3-(1-propan-2-ylpiperidin-3-yl)azetidin-1-yl]-3-(2,2,2-trifluoroethanimidoyl)pyrazin-2-amine;1-[3-[1-[1-[1-(2,4-dichlorophenyl)ethyl]-3-(trifluoromethyl)pyrazolo[3,4-b]pyrazin-6-yl]azetidin-3-yl]piperidin-1-yl]propan-2-ol

C50H60Cl4F6N12O — CID 142279188

About N-[1-(2,4-dichlorophenyl)ethyl]-6-[3-(1-propan-2-ylpiperidin-3-yl)azetidin-1-yl]-3-(2,2,2-trifluoroethanimidoyl)pyrazin-2-amine;1-[3-[1-[1-[1-(2,4-dichlorophenyl)ethyl]-3-(trifluoromethyl)pyrazolo[3,4-b]pyrazin-6-yl]azetidin-3-yl]piperidin-1-yl]propan-2-ol

N-[1-(2,4-dichlorophenyl)ethyl]-6-[3-(1-propan-2-ylpiperidin-3-yl)azetidin-1-yl]-3-(2,2,2-trifluoroethanimidoyl)pyrazin-2-amine;1-[3-[1-[1-[1-(2,4-dichlorophenyl)ethyl]-3-(trifluoromethyl)pyrazolo[3,4-b]pyrazin-6-yl]azetidin-3-yl]piperidin-1-yl]propan-2-ol (PubChem CID 142279188) has the molecular formula C50H60Cl4F6N12O and a molecular weight of 1100.91 g/mol. Its IUPAC name is N-[1-(2,4-dichlorophenyl)ethyl]-6-[3-(1-propan-2-ylpiperidin-3-yl)azetidin-1-yl]-3-(2,2,2-trifluoroethanimidoyl)pyrazin-2-amine;1-[3-[1-[1-[1-(2,4-dichlorophenyl)ethyl]-3-(trifluoromethyl)pyrazolo[3,4-b]pyrazin-6-yl]azetidin-3-yl]piperidin-1-yl]propan-2-ol.

Molecular Properties

• Compound Name: N-[1-(2,4-dichlorophenyl)ethyl]-6-[3-(1-propan-2-ylpiperidin-3-yl)azetidin-1-yl]-3-(2,2,2-trifluoroethanimidoyl)pyrazin-2-amine;1-[3-[1-[1-[1-(2,4-dichlorophenyl)ethyl]-3-(trifluoromethyl)pyrazolo[3,4-b]pyrazin-6-yl]azetidin-3-yl]piperidin-1-yl]propan-2-ol
• PubChem CID: 142279188
• Molecular Formula: C50H60Cl4F6N12O
• Molecular Weight: 1100.91 g/mol
• Exact Mass: 1098.37
• IUPAC Name: N-[1-(2,4-dichlorophenyl)ethyl]-6-[3-(1-propan-2-ylpiperidin-3-yl)azetidin-1-yl]-3-(2,2,2-trifluoroethanimidoyl)pyrazin-2-amine;1-[3-[1-[1-[1-(2,4-dichlorophenyl)ethyl]-3-(trifluoromethyl)pyrazolo[3,4-b]pyrazin-6-yl]azetidin-3-yl]piperidin-1-yl]propan-2-ol
• SMILES: CC(O)CN1CCCC(C2CN(c3cnc4c(C(F)(F)F)nn(C(C)c5ccc(Cl)cc5Cl)c4n3)C2)C1.[H]/N=C(/c1ncc(N2CC(C3CCCN(C(C)C)C3)C2)nc1NC(C)c1ccc(Cl)cc1Cl)C(F)(F)F
• InChI: InChI=1S/C25H29Cl2F3N6O.C25H31Cl2F3N6/c1-14(37)10-34-7-3-4-16(11-34)17-12-35(13-17)21-9-31-22-23(25(28,29)30)33-36(24(22)32-21)15(2)19-6-5-18(26)8-20(19)27;1-14(2)35-8-4-5-16(11-35)17-12-36(13-17)21-10-32-22(23(31)25(28,29)30)24(34-21)33-15(3)19-7-6-18(26)9-20(19)27/h5-6,8-9,14-17,37H,3-4,7,10-13H2,1-2H3;6-7,9-10,14-17,31H,4-5,8,11-13H2,1-3H3,(H,33,34)/b;31-23-
• InChIKey: CVAWETNFDNFHDN-BONDOJIPSA-N
• XLogP: 11.73
• TPSA: 138.45 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 13
• Rotatable Bonds: 13
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1100.91
LogP ≤ 5	11.73
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dichlorophenyl)ethyl]-6-[3-(1-propan-2-ylpiperidin-3-yl)azetidin-1-yl]-3-(2,2,2-trifluoroethanimidoyl)pyrazin-2-amine;1-[3-[1-[1-[1-(2,4-dichlorophenyl)ethyl]-3-(trifluoromethyl)pyrazolo[3,4-b]pyrazin-6-yl]azetidin-3-yl]piperidin-1-yl]propan-2-ol?

The IUPAC name of N-[1-(2,4-dichlorophenyl)ethyl]-6-[3-(1-propan-2-ylpiperidin-3-yl)azetidin-1-yl]-3-(2,2,2-trifluoroethanimidoyl)pyrazin-2-amine;1-[3-[1-[1-[1-(2,4-dichlorophenyl)ethyl]-3-(trifluoromethyl)pyrazolo[3,4-b]pyrazin-6-yl]azetidin-3-yl]piperidin-1-yl]propan-2-ol (CID 142279188) is N-[1-(2,4-dichlorophenyl)ethyl]-6-[3-(1-propan-2-ylpiperidin-3-yl)azetidin-1-yl]-3-(2,2,2-trifluoroethanimidoyl)pyrazin-2-amine;1-[3-[1-[1-[1-(2,4-dichlorophenyl)ethyl]-3-(trifluoromethyl)pyrazolo[3,4-b]pyrazin-6-yl]azetidin-3-yl]piperidin-1-yl]propan-2-ol.

What is the SMILES notation for N-[1-(2,4-dichlorophenyl)ethyl]-6-[3-(1-propan-2-ylpiperidin-3-yl)azetidin-1-yl]-3-(2,2,2-trifluoroethanimidoyl)pyrazin-2-amine;1-[3-[1-[1-[1-(2,4-dichlorophenyl)ethyl]-3-(trifluoromethyl)pyrazolo[3,4-b]pyrazin-6-yl]azetidin-3-yl]piperidin-1-yl]propan-2-ol?

The canonical SMILES for N-[1-(2,4-dichlorophenyl)ethyl]-6-[3-(1-propan-2-ylpiperidin-3-yl)azetidin-1-yl]-3-(2,2,2-trifluoroethanimidoyl)pyrazin-2-amine;1-[3-[1-[1-[1-(2,4-dichlorophenyl)ethyl]-3-(trifluoromethyl)pyrazolo[3,4-b]pyrazin-6-yl]azetidin-3-yl]piperidin-1-yl]propan-2-ol is CC(O)CN1CCCC(C2CN(c3cnc4c(C(F)(F)F)nn(C(C)c5ccc(Cl)cc5Cl)c4n3)C2)C1.[H]/N=C(/c1ncc(N2CC(C3CCCN(C(C)C)C3)C2)nc1NC(C)c1ccc(Cl)cc1Cl)C(F)(F)F.

What is the InChIKey of N-[1-(2,4-dichlorophenyl)ethyl]-6-[3-(1-propan-2-ylpiperidin-3-yl)azetidin-1-yl]-3-(2,2,2-trifluoroethanimidoyl)pyrazin-2-amine;1-[3-[1-[1-[1-(2,4-dichlorophenyl)ethyl]-3-(trifluoromethyl)pyrazolo[3,4-b]pyrazin-6-yl]azetidin-3-yl]piperidin-1-yl]propan-2-ol?

The InChIKey is CVAWETNFDNFHDN-BONDOJIPSA-N. The full InChI is InChI=1S/C25H29Cl2F3N6O.C25H31Cl2F3N6/c1-14(37)10-34-7-3-4-16(11-34)17-12-35(13-17)21-9-31-22-23(25(28,29)30)33-36(24(22)32-21)15(2)19-6-5-18(26)8-20(19)27;1-14(2)35-8-4-5-16(11-35)17-12-36(13-17)21-10-32-22(23(31)25(28,29)30)24(34-21)33-15(3)19-7-6-18(26)9-20(19)27/h5-6,8-9,14-17,37H,3-4,7,10-13H2,1-2H3;6-7,9-10,14-17,31H,4-5,8,11-13H2,1-3H3,(H,33,34)/b;31-23-.

What are the key properties of N-[1-(2,4-dichlorophenyl)ethyl]-6-[3-(1-propan-2-ylpiperidin-3-yl)azetidin-1-yl]-3-(2,2,2-trifluoroethanimidoyl)pyrazin-2-amine;1-[3-[1-[1-[1-(2,4-dichlorophenyl)ethyl]-3-(trifluoromethyl)pyrazolo[3,4-b]pyrazin-6-yl]azetidin-3-yl]piperidin-1-yl]propan-2-ol?

N-[1-(2,4-dichlorophenyl)ethyl]-6-[3-(1-propan-2-ylpiperidin-3-yl)azetidin-1-yl]-3-(2,2,2-trifluoroethanimidoyl)pyrazin-2-amine;1-[3-[1-[1-[1-(2,4-dichlorophenyl)ethyl]-3-(trifluoromethyl)pyrazolo[3,4-b]pyrazin-6-yl]azetidin-3-yl]piperidin-1-yl]propan-2-ol has a molecular weight of 1100.91 g/mol, XLogP of 11.73, 13 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(2,4-dichlorophenyl)ethyl]-6-[3-(1-propan-2-ylpiperidin-3-yl)azetidin-1-yl]-3-(2,2,2-trifluoroethanimidoyl)pyrazin-2-amine;1-[3-[1-[1-[1-(2,4-dichlorophenyl)ethyl]-3-(trifluoromethyl)pyrazolo[3,4-b]pyrazin-6-yl]azetidin-3-yl]piperidin-1-yl]propan-2-ol is sourced from PubChem (CID 142279188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).