1-[4-[7-chloro-8-(2-fluorophenyl)pyrrolo[1,2-a]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[7-chloro-8-(2-fluorophenyl)pyrrolo[1,2-a][1,3,5]triazin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-7-(2-fluorophenyl)pyrrolo[1,2-b]pyridazin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-7-(2-fluorophenyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[8-fluoro-7-(2-fluorophenyl)-6-methylpyrido[3,2-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-[2-(trifluoromethyl)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]prop-2-en-1-one

C119H107Cl4F9N28O6 — CID 158051104

About 1-[4-[7-chloro-8-(2-fluorophenyl)pyrrolo[1,2-a]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[7-chloro-8-(2-fluorophenyl)pyrrolo[1,2-a][1,3,5]triazin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-7-(2-fluorophenyl)pyrrolo[1,2-b]pyridazin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-7-(2-fluorophenyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[8-fluoro-7-(2-fluorophenyl)-6-methylpyrido[3,2-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-[2-(trifluoromethyl)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]prop-2-en-1-one

1-[4-[7-chloro-8-(2-fluorophenyl)pyrrolo[1,2-a]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[7-chloro-8-(2-fluorophenyl)pyrrolo[1,2-a][1,3,5]triazin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-7-(2-fluorophenyl)pyrrolo[1,2-b]pyridazin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-7-(2-fluorophenyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[8-fluoro-7-(2-fluorophenyl)-6-methylpyrido[3,2-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-[2-(trifluoromethyl)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]prop-2-en-1-one (PubChem CID 158051104) has the molecular formula C119H107Cl4F9N28O6 and a molecular weight of 2338.15 g/mol. Its IUPAC name is 1-[4-[7-chloro-8-(2-fluorophenyl)pyrrolo[1,2-a]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[7-chloro-8-(2-fluorophenyl)pyrrolo[1,2-a][1,3,5]triazin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-7-(2-fluorophenyl)pyrrolo[1,2-b]pyridazin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-7-(2-fluorophenyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[8-fluoro-7-(2-fluorophenyl)-6-methylpyrido[3,2-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-[2-(trifluoromethyl)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]prop-2-en-1-one.

Molecular Properties

• Compound Name: 1-[4-[7-chloro-8-(2-fluorophenyl)pyrrolo[1,2-a]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[7-chloro-8-(2-fluorophenyl)pyrrolo[1,2-a][1,3,5]triazin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-7-(2-fluorophenyl)pyrrolo[1,2-b]pyridazin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-7-(2-fluorophenyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[8-fluoro-7-(2-fluorophenyl)-6-methylpyrido[3,2-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-[2-(trifluoromethyl)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]prop-2-en-1-one
• PubChem CID: 158051104
• Molecular Formula: C119H107Cl4F9N28O6
• Molecular Weight: 2338.15 g/mol
• Exact Mass: 2334.75
• IUPAC Name: 1-[4-[7-chloro-8-(2-fluorophenyl)pyrrolo[1,2-a]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[7-chloro-8-(2-fluorophenyl)pyrrolo[1,2-a][1,3,5]triazin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-7-(2-fluorophenyl)pyrrolo[1,2-b]pyridazin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-7-(2-fluorophenyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[8-fluoro-7-(2-fluorophenyl)-6-methylpyrido[3,2-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-[2-(trifluoromethyl)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]prop-2-en-1-one
• SMILES: C=CC(=O)N1CCN(c2ccnc3c(-c4ccccc4F)c(Cl)cn23)CC1.C=CC(=O)N1CCN(c2ccnn3c(-c4ccccc4F)c(Cl)cc23)CC1.C=CC(=O)N1CCN(c2ncnc3c(-c4ccccc4F)c(Cl)cn23)CC1.C=CC(=O)N1CCN(c2ncnc3c(F)c(-c4ccccc4F)c(C)nc23)CC1.C=CC(=O)N1CCN(c2ncnn3c(-c4ccccc4F)c(Cl)cc23)CC1.C=CC(=O)N1CCN(c2ncnn3cc(-c4ccccc4C(F)(F)F)cc23)CC1
• InChI: InChI=1S/C21H19F2N5O.2C20H18ClFN4O.C20H18F3N5O.2C19H17ClFN5O/c1-3-16(29)27-8-10-28(11-9-27)21-20-19(24-12-25-21)18(23)17(13(2)26-20)14-6-4-5-7-15(14)22;1-2-19(27)25-11-9-24(10-12-25)17-7-8-23-26-18(17)13-15(21)20(26)14-5-3-4-6-16(14)22;1-2-18(27)25-11-9-24(10-12-25)17-7-8-23-20-19(15(21)13-26(17)20)14-5-3-4-6-16(14)22;1-2-18(29)26-7-9-27(10-8-26)19-17-11-14(12-28(17)25-13-24-19)15-5-3-4-6-16(15)20(21,22)23;1-2-17(27)24-7-9-25(10-8-24)19-16-11-14(20)18(26(16)23-12-22-19)13-5-3-4-6-15(13)21;1-2-16(27)24-7-9-25(10-8-24)19-23-12-22-18-17(14(20)11-26(18)19)13-5-3-4-6-15(13)21/h3-7,12H,1,8-11H2,2H3;2*2-8,13H,1,9-12H2;2-6,11-13H,1,7-10H2;2*2-6,11-12H,1,7-10H2
• InChIKey: FJMNHFNRSNOMJS-UHFFFAOYSA-N
• XLogP: 19.67
• TPSA: 305.14 Ų
• H-Bond Acceptors: 28
• Rotatable Bonds: 18
• Heavy Atoms: 166
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2338.15
LogP ≤ 5	19.67
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[4-[7-chloro-8-(2-fluorophenyl)pyrrolo[1,2-a]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[7-chloro-8-(2-fluorophenyl)pyrrolo[1,2-a][1,3,5]triazin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-7-(2-fluorophenyl)pyrrolo[1,2-b]pyridazin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-7-(2-fluorophenyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[8-fluoro-7-(2-fluorophenyl)-6-methylpyrido[3,2-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-[2-(trifluoromethyl)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]prop-2-en-1-one?

The IUPAC name of 1-[4-[7-chloro-8-(2-fluorophenyl)pyrrolo[1,2-a]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[7-chloro-8-(2-fluorophenyl)pyrrolo[1,2-a][1,3,5]triazin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-7-(2-fluorophenyl)pyrrolo[1,2-b]pyridazin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-7-(2-fluorophenyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[8-fluoro-7-(2-fluorophenyl)-6-methylpyrido[3,2-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-[2-(trifluoromethyl)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]prop-2-en-1-one (CID 158051104) is 1-[4-[7-chloro-8-(2-fluorophenyl)pyrrolo[1,2-a]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[7-chloro-8-(2-fluorophenyl)pyrrolo[1,2-a][1,3,5]triazin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-7-(2-fluorophenyl)pyrrolo[1,2-b]pyridazin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-7-(2-fluorophenyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[8-fluoro-7-(2-fluorophenyl)-6-methylpyrido[3,2-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-[2-(trifluoromethyl)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]prop-2-en-1-one.

What is the SMILES notation for 1-[4-[7-chloro-8-(2-fluorophenyl)pyrrolo[1,2-a]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[7-chloro-8-(2-fluorophenyl)pyrrolo[1,2-a][1,3,5]triazin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-7-(2-fluorophenyl)pyrrolo[1,2-b]pyridazin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-7-(2-fluorophenyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[8-fluoro-7-(2-fluorophenyl)-6-methylpyrido[3,2-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-[2-(trifluoromethyl)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]prop-2-en-1-one?

The canonical SMILES for 1-[4-[7-chloro-8-(2-fluorophenyl)pyrrolo[1,2-a]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[7-chloro-8-(2-fluorophenyl)pyrrolo[1,2-a][1,3,5]triazin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-7-(2-fluorophenyl)pyrrolo[1,2-b]pyridazin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-7-(2-fluorophenyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[8-fluoro-7-(2-fluorophenyl)-6-methylpyrido[3,2-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-[2-(trifluoromethyl)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]prop-2-en-1-one is C=CC(=O)N1CCN(c2ccnc3c(-c4ccccc4F)c(Cl)cn23)CC1.C=CC(=O)N1CCN(c2ccnn3c(-c4ccccc4F)c(Cl)cc23)CC1.C=CC(=O)N1CCN(c2ncnc3c(-c4ccccc4F)c(Cl)cn23)CC1.C=CC(=O)N1CCN(c2ncnc3c(F)c(-c4ccccc4F)c(C)nc23)CC1.C=CC(=O)N1CCN(c2ncnn3c(-c4ccccc4F)c(Cl)cc23)CC1.C=CC(=O)N1CCN(c2ncnn3cc(-c4ccccc4C(F)(F)F)cc23)CC1.

What is the InChIKey of 1-[4-[7-chloro-8-(2-fluorophenyl)pyrrolo[1,2-a]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[7-chloro-8-(2-fluorophenyl)pyrrolo[1,2-a][1,3,5]triazin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-7-(2-fluorophenyl)pyrrolo[1,2-b]pyridazin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-7-(2-fluorophenyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[8-fluoro-7-(2-fluorophenyl)-6-methylpyrido[3,2-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-[2-(trifluoromethyl)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]prop-2-en-1-one?

The InChIKey is FJMNHFNRSNOMJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F2N5O.2C20H18ClFN4O.C20H18F3N5O.2C19H17ClFN5O/c1-3-16(29)27-8-10-28(11-9-27)21-20-19(24-12-25-21)18(23)17(13(2)26-20)14-6-4-5-7-15(14)22;1-2-19(27)25-11-9-24(10-12-25)17-7-8-23-26-18(17)13-15(21)20(26)14-5-3-4-6-16(14)22;1-2-18(27)25-11-9-24(10-12-25)17-7-8-23-20-19(15(21)13-26(17)20)14-5-3-4-6-16(14)22;1-2-18(29)26-7-9-27(10-8-26)19-17-11-14(12-28(17)25-13-24-19)15-5-3-4-6-16(15)20(21,22)23;1-2-17(27)24-7-9-25(10-8-24)19-16-11-14(20)18(26(16)23-12-22-19)13-5-3-4-6-15(13)21;1-2-16(27)24-7-9-25(10-8-24)19-23-12-22-18-17(14(20)11-26(18)19)13-5-3-4-6-15(13)21/h3-7,12H,1,8-11H2,2H3;2*2-8,13H,1,9-12H2;2-6,11-13H,1,7-10H2;2*2-6,11-12H,1,7-10H2.

What are the key properties of 1-[4-[7-chloro-8-(2-fluorophenyl)pyrrolo[1,2-a]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[7-chloro-8-(2-fluorophenyl)pyrrolo[1,2-a][1,3,5]triazin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-7-(2-fluorophenyl)pyrrolo[1,2-b]pyridazin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-7-(2-fluorophenyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[8-fluoro-7-(2-fluorophenyl)-6-methylpyrido[3,2-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-[2-(trifluoromethyl)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]prop-2-en-1-one?

1-[4-[7-chloro-8-(2-fluorophenyl)pyrrolo[1,2-a]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[7-chloro-8-(2-fluorophenyl)pyrrolo[1,2-a][1,3,5]triazin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-7-(2-fluorophenyl)pyrrolo[1,2-b]pyridazin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-7-(2-fluorophenyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[8-fluoro-7-(2-fluorophenyl)-6-methylpyrido[3,2-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-[2-(trifluoromethyl)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]prop-2-en-1-one has a molecular weight of 2338.15 g/mol, XLogP of 19.67, 18 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[7-chloro-8-(2-fluorophenyl)pyrrolo[1,2-a]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[7-chloro-8-(2-fluorophenyl)pyrrolo[1,2-a][1,3,5]triazin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-7-(2-fluorophenyl)pyrrolo[1,2-b]pyridazin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-7-(2-fluorophenyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[8-fluoro-7-(2-fluorophenyl)-6-methylpyrido[3,2-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-[2-(trifluoromethyl)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]prop-2-en-1-one is sourced from PubChem (CID 158051104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).