13,13-difluoro-12-methyl-6-(2-pyridin-2-ylethynyl)-1,4,9-triazatricyclo[8.5.0.03,8]pentadeca-3(8),4,6,9-tetraen-2-one;13,13-difluoro-14-methyl-6-(2-pyridin-2-ylethynyl)-1,4,9-triazatricyclo[8.5.0.03,8]pentadeca-3(8),4,6,9-tetraen-2-one;3-fluoro-2,2-dimethyl-6-(2-pyridin-2-ylethynyl)-1,3-dihydropyrrolo[2,1-b]quinazolin-9-one;2-(fluoromethyl)-6-(2-pyridin-2-ylethynyl)-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one;2-(2-fluoropropan-2-yl)-6-(2-pyridin-2-ylethynyl)-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one;2-methyl-6-(2-pyridin-2-ylethynyl)-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one

C119H95F7N20O6 — CID 158461680

About 13,13-difluoro-12-methyl-6-(2-pyridin-2-ylethynyl)-1,4,9-triazatricyclo[8.5.0.03,8]pentadeca-3(8),4,6,9-tetraen-2-one;13,13-difluoro-14-methyl-6-(2-pyridin-2-ylethynyl)-1,4,9-triazatricyclo[8.5.0.03,8]pentadeca-3(8),4,6,9-tetraen-2-one;3-fluoro-2,2-dimethyl-6-(2-pyridin-2-ylethynyl)-1,3-dihydropyrrolo[2,1-b]quinazolin-9-one;2-(fluoromethyl)-6-(2-pyridin-2-ylethynyl)-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one;2-(2-fluoropropan-2-yl)-6-(2-pyridin-2-ylethynyl)-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one;2-methyl-6-(2-pyridin-2-ylethynyl)-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one

13,13-difluoro-12-methyl-6-(2-pyridin-2-ylethynyl)-1,4,9-triazatricyclo[8.5.0.03,8]pentadeca-3(8),4,6,9-tetraen-2-one;13,13-difluoro-14-methyl-6-(2-pyridin-2-ylethynyl)-1,4,9-triazatricyclo[8.5.0.03,8]pentadeca-3(8),4,6,9-tetraen-2-one;3-fluoro-2,2-dimethyl-6-(2-pyridin-2-ylethynyl)-1,3-dihydropyrrolo[2,1-b]quinazolin-9-one;2-(fluoromethyl)-6-(2-pyridin-2-ylethynyl)-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one;2-(2-fluoropropan-2-yl)-6-(2-pyridin-2-ylethynyl)-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one;2-methyl-6-(2-pyridin-2-ylethynyl)-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one (PubChem CID 158461680) has the molecular formula C119H95F7N20O6 and a molecular weight of 2034.19 g/mol. Its IUPAC name is 13,13-difluoro-12-methyl-6-(2-pyridin-2-ylethynyl)-1,4,9-triazatricyclo[8.5.0.03,8]pentadeca-3(8),4,6,9-tetraen-2-one;13,13-difluoro-14-methyl-6-(2-pyridin-2-ylethynyl)-1,4,9-triazatricyclo[8.5.0.03,8]pentadeca-3(8),4,6,9-tetraen-2-one;3-fluoro-2,2-dimethyl-6-(2-pyridin-2-ylethynyl)-1,3-dihydropyrrolo[2,1-b]quinazolin-9-one;2-(fluoromethyl)-6-(2-pyridin-2-ylethynyl)-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one;2-(2-fluoropropan-2-yl)-6-(2-pyridin-2-ylethynyl)-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one;2-methyl-6-(2-pyridin-2-ylethynyl)-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one.

Molecular Properties

• Compound Name: 13,13-difluoro-12-methyl-6-(2-pyridin-2-ylethynyl)-1,4,9-triazatricyclo[8.5.0.03,8]pentadeca-3(8),4,6,9-tetraen-2-one;13,13-difluoro-14-methyl-6-(2-pyridin-2-ylethynyl)-1,4,9-triazatricyclo[8.5.0.03,8]pentadeca-3(8),4,6,9-tetraen-2-one;3-fluoro-2,2-dimethyl-6-(2-pyridin-2-ylethynyl)-1,3-dihydropyrrolo[2,1-b]quinazolin-9-one;2-(fluoromethyl)-6-(2-pyridin-2-ylethynyl)-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one;2-(2-fluoropropan-2-yl)-6-(2-pyridin-2-ylethynyl)-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one;2-methyl-6-(2-pyridin-2-ylethynyl)-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one
• PubChem CID: 158461680
• Molecular Formula: C119H95F7N20O6
• Molecular Weight: 2034.19 g/mol
• Exact Mass: 2032.76
• IUPAC Name: 13,13-difluoro-12-methyl-6-(2-pyridin-2-ylethynyl)-1,4,9-triazatricyclo[8.5.0.03,8]pentadeca-3(8),4,6,9-tetraen-2-one;13,13-difluoro-14-methyl-6-(2-pyridin-2-ylethynyl)-1,4,9-triazatricyclo[8.5.0.03,8]pentadeca-3(8),4,6,9-tetraen-2-one;3-fluoro-2,2-dimethyl-6-(2-pyridin-2-ylethynyl)-1,3-dihydropyrrolo[2,1-b]quinazolin-9-one;2-(fluoromethyl)-6-(2-pyridin-2-ylethynyl)-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one;2-(2-fluoropropan-2-yl)-6-(2-pyridin-2-ylethynyl)-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one;2-methyl-6-(2-pyridin-2-ylethynyl)-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one
• SMILES: CC(C)(F)C1Cc2nc3cc(C#Cc4ccccn4)ccc3c(=O)n2C1.CC1(C)Cn2c(nc3cc(C#Cc4ccccn4)ccc3c2=O)C1F.CC1Cc2nc3cc(C#Cc4ccccn4)ccc3c(=O)n2C1.CC1Cc2nc3cc(C#Cc4ccccn4)cnc3c(=O)n2CCC1(F)F.CC1Cn2c(nc3cc(C#Cc4ccccn4)cnc3c2=O)CCC1(F)F.O=c1c2ccc(C#Cc3ccccn3)cc2nc2n1CC(CF)C2
• InChI: InChI=1S/C21H18FN3O.2C20H16F2N4O.C20H16FN3O.C19H14FN3O.C19H15N3O/c1-21(2,22)15-12-19-24-18-11-14(6-8-16-5-3-4-10-23-16)7-9-17(18)20(26)25(19)13-15;1-13-12-26-17(7-8-20(13,21)22)25-16-10-14(11-24-18(16)19(26)27)5-6-15-4-2-3-9-23-15;1-13-10-17-25-16-11-14(5-6-15-4-2-3-8-23-15)12-24-18(16)19(27)26(17)9-7-20(13,21)22;1-20(2)12-24-18(17(20)21)23-16-11-13(7-9-15(16)19(24)25)6-8-14-5-3-4-10-22-14;20-11-14-10-18-22-17-9-13(4-6-15-3-1-2-8-21-15)5-7-16(17)19(24)23(18)12-14;1-13-10-18-21-17-11-14(5-7-15-4-2-3-9-20-15)6-8-16(17)19(23)22(18)12-13/h3-5,7,9-11,15H,12-13H2,1-2H3;2-4,9-11,13H,7-8,12H2,1H3;2-4,8,11-13H,7,9-10H2,1H3;3-5,7,9-11,17H,12H2,1-2H3;1-3,5,7-9,14H,10-12H2;2-4,6,8-9,11,13H,10,12H2,1H3
• InChIKey: HFGGCPSCJJCUDG-UHFFFAOYSA-N
• XLogP: 16.68
• TPSA: 312.46 Ų
• H-Bond Acceptors: 26
• Rotatable Bonds: 2
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2034.19
LogP ≤ 5	16.68
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 13,13-difluoro-12-methyl-6-(2-pyridin-2-ylethynyl)-1,4,9-triazatricyclo[8.5.0.03,8]pentadeca-3(8),4,6,9-tetraen-2-one;13,13-difluoro-14-methyl-6-(2-pyridin-2-ylethynyl)-1,4,9-triazatricyclo[8.5.0.03,8]pentadeca-3(8),4,6,9-tetraen-2-one;3-fluoro-2,2-dimethyl-6-(2-pyridin-2-ylethynyl)-1,3-dihydropyrrolo[2,1-b]quinazolin-9-one;2-(fluoromethyl)-6-(2-pyridin-2-ylethynyl)-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one;2-(2-fluoropropan-2-yl)-6-(2-pyridin-2-ylethynyl)-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one;2-methyl-6-(2-pyridin-2-ylethynyl)-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one?

The IUPAC name of 13,13-difluoro-12-methyl-6-(2-pyridin-2-ylethynyl)-1,4,9-triazatricyclo[8.5.0.03,8]pentadeca-3(8),4,6,9-tetraen-2-one;13,13-difluoro-14-methyl-6-(2-pyridin-2-ylethynyl)-1,4,9-triazatricyclo[8.5.0.03,8]pentadeca-3(8),4,6,9-tetraen-2-one;3-fluoro-2,2-dimethyl-6-(2-pyridin-2-ylethynyl)-1,3-dihydropyrrolo[2,1-b]quinazolin-9-one;2-(fluoromethyl)-6-(2-pyridin-2-ylethynyl)-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one;2-(2-fluoropropan-2-yl)-6-(2-pyridin-2-ylethynyl)-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one;2-methyl-6-(2-pyridin-2-ylethynyl)-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one (CID 158461680) is 13,13-difluoro-12-methyl-6-(2-pyridin-2-ylethynyl)-1,4,9-triazatricyclo[8.5.0.03,8]pentadeca-3(8),4,6,9-tetraen-2-one;13,13-difluoro-14-methyl-6-(2-pyridin-2-ylethynyl)-1,4,9-triazatricyclo[8.5.0.03,8]pentadeca-3(8),4,6,9-tetraen-2-one;3-fluoro-2,2-dimethyl-6-(2-pyridin-2-ylethynyl)-1,3-dihydropyrrolo[2,1-b]quinazolin-9-one;2-(fluoromethyl)-6-(2-pyridin-2-ylethynyl)-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one;2-(2-fluoropropan-2-yl)-6-(2-pyridin-2-ylethynyl)-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one;2-methyl-6-(2-pyridin-2-ylethynyl)-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one.

What is the SMILES notation for 13,13-difluoro-12-methyl-6-(2-pyridin-2-ylethynyl)-1,4,9-triazatricyclo[8.5.0.03,8]pentadeca-3(8),4,6,9-tetraen-2-one;13,13-difluoro-14-methyl-6-(2-pyridin-2-ylethynyl)-1,4,9-triazatricyclo[8.5.0.03,8]pentadeca-3(8),4,6,9-tetraen-2-one;3-fluoro-2,2-dimethyl-6-(2-pyridin-2-ylethynyl)-1,3-dihydropyrrolo[2,1-b]quinazolin-9-one;2-(fluoromethyl)-6-(2-pyridin-2-ylethynyl)-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one;2-(2-fluoropropan-2-yl)-6-(2-pyridin-2-ylethynyl)-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one;2-methyl-6-(2-pyridin-2-ylethynyl)-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one?

The canonical SMILES for 13,13-difluoro-12-methyl-6-(2-pyridin-2-ylethynyl)-1,4,9-triazatricyclo[8.5.0.03,8]pentadeca-3(8),4,6,9-tetraen-2-one;13,13-difluoro-14-methyl-6-(2-pyridin-2-ylethynyl)-1,4,9-triazatricyclo[8.5.0.03,8]pentadeca-3(8),4,6,9-tetraen-2-one;3-fluoro-2,2-dimethyl-6-(2-pyridin-2-ylethynyl)-1,3-dihydropyrrolo[2,1-b]quinazolin-9-one;2-(fluoromethyl)-6-(2-pyridin-2-ylethynyl)-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one;2-(2-fluoropropan-2-yl)-6-(2-pyridin-2-ylethynyl)-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one;2-methyl-6-(2-pyridin-2-ylethynyl)-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one is CC(C)(F)C1Cc2nc3cc(C#Cc4ccccn4)ccc3c(=O)n2C1.CC1(C)Cn2c(nc3cc(C#Cc4ccccn4)ccc3c2=O)C1F.CC1Cc2nc3cc(C#Cc4ccccn4)ccc3c(=O)n2C1.CC1Cc2nc3cc(C#Cc4ccccn4)cnc3c(=O)n2CCC1(F)F.CC1Cn2c(nc3cc(C#Cc4ccccn4)cnc3c2=O)CCC1(F)F.O=c1c2ccc(C#Cc3ccccn3)cc2nc2n1CC(CF)C2.

What is the InChIKey of 13,13-difluoro-12-methyl-6-(2-pyridin-2-ylethynyl)-1,4,9-triazatricyclo[8.5.0.03,8]pentadeca-3(8),4,6,9-tetraen-2-one;13,13-difluoro-14-methyl-6-(2-pyridin-2-ylethynyl)-1,4,9-triazatricyclo[8.5.0.03,8]pentadeca-3(8),4,6,9-tetraen-2-one;3-fluoro-2,2-dimethyl-6-(2-pyridin-2-ylethynyl)-1,3-dihydropyrrolo[2,1-b]quinazolin-9-one;2-(fluoromethyl)-6-(2-pyridin-2-ylethynyl)-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one;2-(2-fluoropropan-2-yl)-6-(2-pyridin-2-ylethynyl)-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one;2-methyl-6-(2-pyridin-2-ylethynyl)-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one?

The InChIKey is HFGGCPSCJJCUDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN3O.2C20H16F2N4O.C20H16FN3O.C19H14FN3O.C19H15N3O/c1-21(2,22)15-12-19-24-18-11-14(6-8-16-5-3-4-10-23-16)7-9-17(18)20(26)25(19)13-15;1-13-12-26-17(7-8-20(13,21)22)25-16-10-14(11-24-18(16)19(26)27)5-6-15-4-2-3-9-23-15;1-13-10-17-25-16-11-14(5-6-15-4-2-3-8-23-15)12-24-18(16)19(27)26(17)9-7-20(13,21)22;1-20(2)12-24-18(17(20)21)23-16-11-13(7-9-15(16)19(24)25)6-8-14-5-3-4-10-22-14;20-11-14-10-18-22-17-9-13(4-6-15-3-1-2-8-21-15)5-7-16(17)19(24)23(18)12-14;1-13-10-18-21-17-11-14(5-7-15-4-2-3-9-20-15)6-8-16(17)19(23)22(18)12-13/h3-5,7,9-11,15H,12-13H2,1-2H3;2-4,9-11,13H,7-8,12H2,1H3;2-4,8,11-13H,7,9-10H2,1H3;3-5,7,9-11,17H,12H2,1-2H3;1-3,5,7-9,14H,10-12H2;2-4,6,8-9,11,13H,10,12H2,1H3.

What are the key properties of 13,13-difluoro-12-methyl-6-(2-pyridin-2-ylethynyl)-1,4,9-triazatricyclo[8.5.0.03,8]pentadeca-3(8),4,6,9-tetraen-2-one;13,13-difluoro-14-methyl-6-(2-pyridin-2-ylethynyl)-1,4,9-triazatricyclo[8.5.0.03,8]pentadeca-3(8),4,6,9-tetraen-2-one;3-fluoro-2,2-dimethyl-6-(2-pyridin-2-ylethynyl)-1,3-dihydropyrrolo[2,1-b]quinazolin-9-one;2-(fluoromethyl)-6-(2-pyridin-2-ylethynyl)-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one;2-(2-fluoropropan-2-yl)-6-(2-pyridin-2-ylethynyl)-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one;2-methyl-6-(2-pyridin-2-ylethynyl)-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one?

13,13-difluoro-12-methyl-6-(2-pyridin-2-ylethynyl)-1,4,9-triazatricyclo[8.5.0.03,8]pentadeca-3(8),4,6,9-tetraen-2-one;13,13-difluoro-14-methyl-6-(2-pyridin-2-ylethynyl)-1,4,9-triazatricyclo[8.5.0.03,8]pentadeca-3(8),4,6,9-tetraen-2-one;3-fluoro-2,2-dimethyl-6-(2-pyridin-2-ylethynyl)-1,3-dihydropyrrolo[2,1-b]quinazolin-9-one;2-(fluoromethyl)-6-(2-pyridin-2-ylethynyl)-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one;2-(2-fluoropropan-2-yl)-6-(2-pyridin-2-ylethynyl)-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one;2-methyl-6-(2-pyridin-2-ylethynyl)-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one has a molecular weight of 2034.19 g/mol, XLogP of 16.68, 2 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 13,13-difluoro-12-methyl-6-(2-pyridin-2-ylethynyl)-1,4,9-triazatricyclo[8.5.0.03,8]pentadeca-3(8),4,6,9-tetraen-2-one;13,13-difluoro-14-methyl-6-(2-pyridin-2-ylethynyl)-1,4,9-triazatricyclo[8.5.0.03,8]pentadeca-3(8),4,6,9-tetraen-2-one;3-fluoro-2,2-dimethyl-6-(2-pyridin-2-ylethynyl)-1,3-dihydropyrrolo[2,1-b]quinazolin-9-one;2-(fluoromethyl)-6-(2-pyridin-2-ylethynyl)-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one;2-(2-fluoropropan-2-yl)-6-(2-pyridin-2-ylethynyl)-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one;2-methyl-6-(2-pyridin-2-ylethynyl)-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one is sourced from PubChem (CID 158461680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).