4-[(4-chloro-2-fluorophenyl)methoxy]-1-(10-methyl-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-13-yl)pyridin-2-one;4-[(2,4-difluorophenyl)methoxy]-1-(10-methyl-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-13-yl)pyridin-2-one;4-[(5-fluoro-2-pyridinyl)methoxy]-1-(10-methyl-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-13-yl)pyridin-2-one;1-(10-methyl-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-13-yl)-4-phenylmethoxypyridin-2-one

C103H98ClF4N17O8 — CID 159913764

About 4-[(4-chloro-2-fluorophenyl)methoxy]-1-(10-methyl-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-13-yl)pyridin-2-one;4-[(2,4-difluorophenyl)methoxy]-1-(10-methyl-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-13-yl)pyridin-2-one;4-[(5-fluoro-2-pyridinyl)methoxy]-1-(10-methyl-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-13-yl)pyridin-2-one;1-(10-methyl-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-13-yl)-4-phenylmethoxypyridin-2-one

4-[(4-chloro-2-fluorophenyl)methoxy]-1-(10-methyl-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-13-yl)pyridin-2-one;4-[(2,4-difluorophenyl)methoxy]-1-(10-methyl-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-13-yl)pyridin-2-one;4-[(5-fluoro-2-pyridinyl)methoxy]-1-(10-methyl-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-13-yl)pyridin-2-one;1-(10-methyl-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-13-yl)-4-phenylmethoxypyridin-2-one (PubChem CID 159913764) has the molecular formula C103H98ClF4N17O8 and a molecular weight of 1813.47 g/mol. Its IUPAC name is 4-[(4-chloro-2-fluorophenyl)methoxy]-1-(10-methyl-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-13-yl)pyridin-2-one;4-[(2,4-difluorophenyl)methoxy]-1-(10-methyl-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-13-yl)pyridin-2-one;4-[(5-fluoro-2-pyridinyl)methoxy]-1-(10-methyl-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-13-yl)pyridin-2-one;1-(10-methyl-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-13-yl)-4-phenylmethoxypyridin-2-one.

Molecular Properties

• Compound Name: 4-[(4-chloro-2-fluorophenyl)methoxy]-1-(10-methyl-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-13-yl)pyridin-2-one;4-[(2,4-difluorophenyl)methoxy]-1-(10-methyl-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-13-yl)pyridin-2-one;4-[(5-fluoro-2-pyridinyl)methoxy]-1-(10-methyl-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-13-yl)pyridin-2-one;1-(10-methyl-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-13-yl)-4-phenylmethoxypyridin-2-one
• PubChem CID: 159913764
• Molecular Formula: C103H98ClF4N17O8
• Molecular Weight: 1813.47 g/mol
• Exact Mass: 1811.74
• IUPAC Name: 4-[(4-chloro-2-fluorophenyl)methoxy]-1-(10-methyl-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-13-yl)pyridin-2-one;4-[(2,4-difluorophenyl)methoxy]-1-(10-methyl-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-13-yl)pyridin-2-one;4-[(5-fluoro-2-pyridinyl)methoxy]-1-(10-methyl-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-13-yl)pyridin-2-one;1-(10-methyl-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-13-yl)-4-phenylmethoxypyridin-2-one
• SMILES: Cn1c2c(c3ccc(-n4ccc(OCc5ccc(Cl)cc5F)cc4=O)nc31)C1CCCN1CC2.Cn1c2c(c3ccc(-n4ccc(OCc5ccc(F)cc5F)cc4=O)nc31)C1CCCN1CC2.Cn1c2c(c3ccc(-n4ccc(OCc5ccc(F)cn5)cc4=O)nc31)C1CCCN1CC2.Cn1c2c(c3ccc(-n4ccc(OCc5ccccc5)cc4=O)nc31)C1CCCN1CC2
• InChI: InChI=1S/C26H24ClFN4O2.C26H24F2N4O2.C26H26N4O2.C25H24FN5O2/c2*1-30-21-9-11-31-10-2-3-22(31)25(21)19-6-7-23(29-26(19)30)32-12-8-18(14-24(32)33)34-15-16-4-5-17(27)13-20(16)28;1-28-21-12-14-29-13-5-8-22(29)25(21)20-9-10-23(27-26(20)28)30-15-11-19(16-24(30)31)32-17-18-6-3-2-4-7-18;1-29-20-9-11-30-10-2-3-21(30)24(20)19-6-7-22(28-25(19)29)31-12-8-18(13-23(31)32)33-15-17-5-4-16(26)14-27-17/h2*4-8,12-14,22H,2-3,9-11,15H2,1H3;2-4,6-7,9-11,15-16,22H,5,8,12-14,17H2,1H3;4-8,12-14,21H,2-3,9-11,15H2,1H3
• InChIKey: NXMYZLVYXKQQEY-UHFFFAOYSA-N
• XLogP: 16.59
• TPSA: 222.05 Ų
• H-Bond Acceptors: 25
• Rotatable Bonds: 16
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1813.47
LogP ≤ 5	16.59
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chloro-2-fluorophenyl)methoxy]-1-(10-methyl-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-13-yl)pyridin-2-one;4-[(2,4-difluorophenyl)methoxy]-1-(10-methyl-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-13-yl)pyridin-2-one;4-[(5-fluoro-2-pyridinyl)methoxy]-1-(10-methyl-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-13-yl)pyridin-2-one;1-(10-methyl-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-13-yl)-4-phenylmethoxypyridin-2-one?

The IUPAC name of 4-[(4-chloro-2-fluorophenyl)methoxy]-1-(10-methyl-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-13-yl)pyridin-2-one;4-[(2,4-difluorophenyl)methoxy]-1-(10-methyl-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-13-yl)pyridin-2-one;4-[(5-fluoro-2-pyridinyl)methoxy]-1-(10-methyl-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-13-yl)pyridin-2-one;1-(10-methyl-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-13-yl)-4-phenylmethoxypyridin-2-one (CID 159913764) is 4-[(4-chloro-2-fluorophenyl)methoxy]-1-(10-methyl-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-13-yl)pyridin-2-one;4-[(2,4-difluorophenyl)methoxy]-1-(10-methyl-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-13-yl)pyridin-2-one;4-[(5-fluoro-2-pyridinyl)methoxy]-1-(10-methyl-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-13-yl)pyridin-2-one;1-(10-methyl-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-13-yl)-4-phenylmethoxypyridin-2-one.

What is the SMILES notation for 4-[(4-chloro-2-fluorophenyl)methoxy]-1-(10-methyl-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-13-yl)pyridin-2-one;4-[(2,4-difluorophenyl)methoxy]-1-(10-methyl-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-13-yl)pyridin-2-one;4-[(5-fluoro-2-pyridinyl)methoxy]-1-(10-methyl-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-13-yl)pyridin-2-one;1-(10-methyl-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-13-yl)-4-phenylmethoxypyridin-2-one?

The canonical SMILES for 4-[(4-chloro-2-fluorophenyl)methoxy]-1-(10-methyl-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-13-yl)pyridin-2-one;4-[(2,4-difluorophenyl)methoxy]-1-(10-methyl-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-13-yl)pyridin-2-one;4-[(5-fluoro-2-pyridinyl)methoxy]-1-(10-methyl-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-13-yl)pyridin-2-one;1-(10-methyl-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-13-yl)-4-phenylmethoxypyridin-2-one is Cn1c2c(c3ccc(-n4ccc(OCc5ccc(Cl)cc5F)cc4=O)nc31)C1CCCN1CC2.Cn1c2c(c3ccc(-n4ccc(OCc5ccc(F)cc5F)cc4=O)nc31)C1CCCN1CC2.Cn1c2c(c3ccc(-n4ccc(OCc5ccc(F)cn5)cc4=O)nc31)C1CCCN1CC2.Cn1c2c(c3ccc(-n4ccc(OCc5ccccc5)cc4=O)nc31)C1CCCN1CC2.

What is the InChIKey of 4-[(4-chloro-2-fluorophenyl)methoxy]-1-(10-methyl-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-13-yl)pyridin-2-one;4-[(2,4-difluorophenyl)methoxy]-1-(10-methyl-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-13-yl)pyridin-2-one;4-[(5-fluoro-2-pyridinyl)methoxy]-1-(10-methyl-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-13-yl)pyridin-2-one;1-(10-methyl-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-13-yl)-4-phenylmethoxypyridin-2-one?

The InChIKey is NXMYZLVYXKQQEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClFN4O2.C26H24F2N4O2.C26H26N4O2.C25H24FN5O2/c2*1-30-21-9-11-31-10-2-3-22(31)25(21)19-6-7-23(29-26(19)30)32-12-8-18(14-24(32)33)34-15-16-4-5-17(27)13-20(16)28;1-28-21-12-14-29-13-5-8-22(29)25(21)20-9-10-23(27-26(20)28)30-15-11-19(16-24(30)31)32-17-18-6-3-2-4-7-18;1-29-20-9-11-30-10-2-3-21(30)24(20)19-6-7-22(28-25(19)29)31-12-8-18(13-23(31)32)33-15-17-5-4-16(26)14-27-17/h2*4-8,12-14,22H,2-3,9-11,15H2,1H3;2-4,6-7,9-11,15-16,22H,5,8,12-14,17H2,1H3;4-8,12-14,21H,2-3,9-11,15H2,1H3.

What are the key properties of 4-[(4-chloro-2-fluorophenyl)methoxy]-1-(10-methyl-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-13-yl)pyridin-2-one;4-[(2,4-difluorophenyl)methoxy]-1-(10-methyl-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-13-yl)pyridin-2-one;4-[(5-fluoro-2-pyridinyl)methoxy]-1-(10-methyl-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-13-yl)pyridin-2-one;1-(10-methyl-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-13-yl)-4-phenylmethoxypyridin-2-one?

4-[(4-chloro-2-fluorophenyl)methoxy]-1-(10-methyl-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-13-yl)pyridin-2-one;4-[(2,4-difluorophenyl)methoxy]-1-(10-methyl-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-13-yl)pyridin-2-one;4-[(5-fluoro-2-pyridinyl)methoxy]-1-(10-methyl-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-13-yl)pyridin-2-one;1-(10-methyl-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-13-yl)-4-phenylmethoxypyridin-2-one has a molecular weight of 1813.47 g/mol, XLogP of 16.59, 16 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(4-chloro-2-fluorophenyl)methoxy]-1-(10-methyl-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-13-yl)pyridin-2-one;4-[(2,4-difluorophenyl)methoxy]-1-(10-methyl-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-13-yl)pyridin-2-one;4-[(5-fluoro-2-pyridinyl)methoxy]-1-(10-methyl-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-13-yl)pyridin-2-one;1-(10-methyl-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-13-yl)-4-phenylmethoxypyridin-2-one is sourced from PubChem (CID 159913764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).