4-[(2,4-difluorophenyl)methoxy]-1-(3-methyl-3,5,12-triazatetracyclo[10.2.2.02,10.04,9]hexadeca-2(10),4(9),5,7-tetraen-6-yl)pyridin-2-one;4-[(5-fluoro-2-pyridinyl)methoxy]-1-(3-methyl-3,5,12-triazatetracyclo[10.2.2.02,10.04,9]hexadeca-2(10),4(9),5,7-tetraen-6-yl)pyridin-2-one;methane;1-(3-methyl-3,5,12-triazatetracyclo[10.2.2.02,10.04,9]hexadeca-2(10),4(9),5,7-tetraen-6-yl)-4-phenylmethoxypyridin-2-one;1-(3-methyl-3,5,12-triazatetracyclo[10.2.2.02,10.04,9]hexadeca-2(10),4(9),5,7-tetraen-6-yl)-4-[4-(trifluoromethyl)phenyl]pyridin-2-one

C₁₀₇H₁₁₃F₆N₁₇O₇ — CID 158100055

About 4-[(2,4-difluorophenyl)methoxy]-1-(3-methyl-3,5,12-triazatetracyclo[10.2.2.02,10.04,9]hexadeca-2(10),4(9),5,7-tetraen-6-yl)pyridin-2-one;4-[(5-fluoro-2-pyridinyl)methoxy]-1-(3-methyl-3,5,12-triazatetracyclo[10.2.2.02,10.04,9]hexadeca-2(10),4(9),5,7-tetraen-6-yl)pyridin-2-one;methane;1-(3-methyl-3,5,12-triazatetracyclo[10.2.2.02,10.04,9]hexadeca-2(10),4(9),5,7-tetraen-6-yl)-4-phenylmethoxypyridin-2-one;1-(3-methyl-3,5,12-triazatetracyclo[10.2.2.02,10.04,9]hexadeca-2(10),4(9),5,7-tetraen-6-yl)-4-[4-(trifluoromethyl)phenyl]pyridin-2-one

4-[(2,4-difluorophenyl)methoxy]-1-(3-methyl-3,5,12-triazatetracyclo[10.2.2.02,10.04,9]hexadeca-2(10),4(9),5,7-tetraen-6-yl)pyridin-2-one;4-[(5-fluoro-2-pyridinyl)methoxy]-1-(3-methyl-3,5,12-triazatetracyclo[10.2.2.02,10.04,9]hexadeca-2(10),4(9),5,7-tetraen-6-yl)pyridin-2-one;methane;1-(3-methyl-3,5,12-triazatetracyclo[10.2.2.02,10.04,9]hexadeca-2(10),4(9),5,7-tetraen-6-yl)-4-phenylmethoxypyridin-2-one;1-(3-methyl-3,5,12-triazatetracyclo[10.2.2.02,10.04,9]hexadeca-2(10),4(9),5,7-tetraen-6-yl)-4-[4-(trifluoromethyl)phenyl]pyridin-2-one (PubChem CID 158100055) has the molecular formula C₁₀₇H₁₁₃F₆N₁₇O₇ and a molecular weight of 1863.18 g/mol. Its IUPAC name is 4-[(2,4-difluorophenyl)methoxy]-1-(3-methyl-3,5,12-triazatetracyclo[10.2.2.02,10.04,9]hexadeca-2(10),4(9),5,7-tetraen-6-yl)pyridin-2-one;4-[(5-fluoro-2-pyridinyl)methoxy]-1-(3-methyl-3,5,12-triazatetracyclo[10.2.2.02,10.04,9]hexadeca-2(10),4(9),5,7-tetraen-6-yl)pyridin-2-one;methane;1-(3-methyl-3,5,12-triazatetracyclo[10.2.2.02,10.04,9]hexadeca-2(10),4(9),5,7-tetraen-6-yl)-4-phenylmethoxypyridin-2-one;1-(3-methyl-3,5,12-triazatetracyclo[10.2.2.02,10.04,9]hexadeca-2(10),4(9),5,7-tetraen-6-yl)-4-[4-(trifluoromethyl)phenyl]pyridin-2-one.

Molecular Properties

• Compound Name: 4-[(2,4-difluorophenyl)methoxy]-1-(3-methyl-3,5,12-triazatetracyclo[10.2.2.02,10.04,9]hexadeca-2(10),4(9),5,7-tetraen-6-yl)pyridin-2-one;4-[(5-fluoro-2-pyridinyl)methoxy]-1-(3-methyl-3,5,12-triazatetracyclo[10.2.2.02,10.04,9]hexadeca-2(10),4(9),5,7-tetraen-6-yl)pyridin-2-one;methane;1-(3-methyl-3,5,12-triazatetracyclo[10.2.2.02,10.04,9]hexadeca-2(10),4(9),5,7-tetraen-6-yl)-4-phenylmethoxypyridin-2-one;1-(3-methyl-3,5,12-triazatetracyclo[10.2.2.02,10.04,9]hexadeca-2(10),4(9),5,7-tetraen-6-yl)-4-[4-(trifluoromethyl)phenyl]pyridin-2-one
• PubChem CID: 158100055
• Molecular Formula: C₁₀₇H₁₁₃F₆N₁₇O₇
• Molecular Weight: 1863.18 g/mol
• Exact Mass: 1861.89
• IUPAC Name: 4-[(2,4-difluorophenyl)methoxy]-1-(3-methyl-3,5,12-triazatetracyclo[10.2.2.02,10.04,9]hexadeca-2(10),4(9),5,7-tetraen-6-yl)pyridin-2-one;4-[(5-fluoro-2-pyridinyl)methoxy]-1-(3-methyl-3,5,12-triazatetracyclo[10.2.2.02,10.04,9]hexadeca-2(10),4(9),5,7-tetraen-6-yl)pyridin-2-one;methane;1-(3-methyl-3,5,12-triazatetracyclo[10.2.2.02,10.04,9]hexadeca-2(10),4(9),5,7-tetraen-6-yl)-4-phenylmethoxypyridin-2-one;1-(3-methyl-3,5,12-triazatetracyclo[10.2.2.02,10.04,9]hexadeca-2(10),4(9),5,7-tetraen-6-yl)-4-[4-(trifluoromethyl)phenyl]pyridin-2-one
• SMILES: C.C.C.C.Cn1c2c(c3ccc(-n4ccc(-c5ccc(C(F)(F)F)cc5)cc4=O)nc31)CN1CCC2CC1.Cn1c2c(c3ccc(-n4ccc(OCc5ccc(F)cc5F)cc4=O)nc31)CN1CCC2CC1.Cn1c2c(c3ccc(-n4ccc(OCc5ccc(F)cn5)cc4=O)nc31)CN1CCC2CC1.Cn1c2c(c3ccc(-n4ccc(OCc5ccccc5)cc4=O)nc31)CN1CCC2CC1
• InChI: InChI=1S/C26H23F3N4O.C26H24F2N4O2.C26H26N4O2.C25H24FN5O2.4CH4/c1-31-24-17-8-11-32(12-9-17)15-21(24)20-6-7-22(30-25(20)31)33-13-10-18(14-23(33)34)16-2-4-19(5-3-16)26(27,28)29;1-30-25-16-6-9-31(10-7-16)14-21(25)20-4-5-23(29-26(20)30)32-11-8-19(13-24(32)33)34-15-17-2-3-18(27)12-22(17)28;1-28-25-19-9-12-29(13-10-19)16-22(25)21-7-8-23(27-26(21)28)30-14-11-20(15-24(30)31)32-17-18-5-3-2-4-6-18;1-29-24-16-6-9-30(10-7-16)14-21(24)20-4-5-22(28-25(20)29)31-11-8-19(12-23(31)32)33-15-18-3-2-17(26)13-27-18;;;;/h2-7,10,13-14,17H,8-9,11-12,15H2,1H3;2-5,8,11-13,16H,6-7,9-10,14-15H2,1H3;2-8,11,14-15,19H,9-10,12-13,16-17H2,1H3;2-5,8,11-13,16H,6-7,9-10,14-15H2,1H3;4*1H4
• InChIKey: FPDLNTWYPBEFAG-UHFFFAOYSA-N
• XLogP: 19.45
• TPSA: 212.82 Ų
• H-Bond Acceptors: 24
• Rotatable Bonds: 14
• Heavy Atoms: 137
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1863.18
LogP ≤ 5	19.45
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of 4-[(2,4-difluorophenyl)methoxy]-1-(3-methyl-3,5,12-triazatetracyclo[10.2.2.02,10.04,9]hexadeca-2(10),4(9),5,7-tetraen-6-yl)pyridin-2-one;4-[(5-fluoro-2-pyridinyl)methoxy]-1-(3-methyl-3,5,12-triazatetracyclo[10.2.2.02,10.04,9]hexadeca-2(10),4(9),5,7-tetraen-6-yl)pyridin-2-one;methane;1-(3-methyl-3,5,12-triazatetracyclo[10.2.2.02,10.04,9]hexadeca-2(10),4(9),5,7-tetraen-6-yl)-4-phenylmethoxypyridin-2-one;1-(3-methyl-3,5,12-triazatetracyclo[10.2.2.02,10.04,9]hexadeca-2(10),4(9),5,7-tetraen-6-yl)-4-[4-(trifluoromethyl)phenyl]pyridin-2-one?

The IUPAC name of 4-[(2,4-difluorophenyl)methoxy]-1-(3-methyl-3,5,12-triazatetracyclo[10.2.2.02,10.04,9]hexadeca-2(10),4(9),5,7-tetraen-6-yl)pyridin-2-one;4-[(5-fluoro-2-pyridinyl)methoxy]-1-(3-methyl-3,5,12-triazatetracyclo[10.2.2.02,10.04,9]hexadeca-2(10),4(9),5,7-tetraen-6-yl)pyridin-2-one;methane;1-(3-methyl-3,5,12-triazatetracyclo[10.2.2.02,10.04,9]hexadeca-2(10),4(9),5,7-tetraen-6-yl)-4-phenylmethoxypyridin-2-one;1-(3-methyl-3,5,12-triazatetracyclo[10.2.2.02,10.04,9]hexadeca-2(10),4(9),5,7-tetraen-6-yl)-4-[4-(trifluoromethyl)phenyl]pyridin-2-one (CID 158100055) is 4-[(2,4-difluorophenyl)methoxy]-1-(3-methyl-3,5,12-triazatetracyclo[10.2.2.02,10.04,9]hexadeca-2(10),4(9),5,7-tetraen-6-yl)pyridin-2-one;4-[(5-fluoro-2-pyridinyl)methoxy]-1-(3-methyl-3,5,12-triazatetracyclo[10.2.2.02,10.04,9]hexadeca-2(10),4(9),5,7-tetraen-6-yl)pyridin-2-one;methane;1-(3-methyl-3,5,12-triazatetracyclo[10.2.2.02,10.04,9]hexadeca-2(10),4(9),5,7-tetraen-6-yl)-4-phenylmethoxypyridin-2-one;1-(3-methyl-3,5,12-triazatetracyclo[10.2.2.02,10.04,9]hexadeca-2(10),4(9),5,7-tetraen-6-yl)-4-[4-(trifluoromethyl)phenyl]pyridin-2-one.

What is the SMILES notation for 4-[(2,4-difluorophenyl)methoxy]-1-(3-methyl-3,5,12-triazatetracyclo[10.2.2.02,10.04,9]hexadeca-2(10),4(9),5,7-tetraen-6-yl)pyridin-2-one;4-[(5-fluoro-2-pyridinyl)methoxy]-1-(3-methyl-3,5,12-triazatetracyclo[10.2.2.02,10.04,9]hexadeca-2(10),4(9),5,7-tetraen-6-yl)pyridin-2-one;methane;1-(3-methyl-3,5,12-triazatetracyclo[10.2.2.02,10.04,9]hexadeca-2(10),4(9),5,7-tetraen-6-yl)-4-phenylmethoxypyridin-2-one;1-(3-methyl-3,5,12-triazatetracyclo[10.2.2.02,10.04,9]hexadeca-2(10),4(9),5,7-tetraen-6-yl)-4-[4-(trifluoromethyl)phenyl]pyridin-2-one?

The canonical SMILES for 4-[(2,4-difluorophenyl)methoxy]-1-(3-methyl-3,5,12-triazatetracyclo[10.2.2.02,10.04,9]hexadeca-2(10),4(9),5,7-tetraen-6-yl)pyridin-2-one;4-[(5-fluoro-2-pyridinyl)methoxy]-1-(3-methyl-3,5,12-triazatetracyclo[10.2.2.02,10.04,9]hexadeca-2(10),4(9),5,7-tetraen-6-yl)pyridin-2-one;methane;1-(3-methyl-3,5,12-triazatetracyclo[10.2.2.02,10.04,9]hexadeca-2(10),4(9),5,7-tetraen-6-yl)-4-phenylmethoxypyridin-2-one;1-(3-methyl-3,5,12-triazatetracyclo[10.2.2.02,10.04,9]hexadeca-2(10),4(9),5,7-tetraen-6-yl)-4-[4-(trifluoromethyl)phenyl]pyridin-2-one is C.C.C.C.Cn1c2c(c3ccc(-n4ccc(-c5ccc(C(F)(F)F)cc5)cc4=O)nc31)CN1CCC2CC1.Cn1c2c(c3ccc(-n4ccc(OCc5ccc(F)cc5F)cc4=O)nc31)CN1CCC2CC1.Cn1c2c(c3ccc(-n4ccc(OCc5ccc(F)cn5)cc4=O)nc31)CN1CCC2CC1.Cn1c2c(c3ccc(-n4ccc(OCc5ccccc5)cc4=O)nc31)CN1CCC2CC1.

What is the InChIKey of 4-[(2,4-difluorophenyl)methoxy]-1-(3-methyl-3,5,12-triazatetracyclo[10.2.2.02,10.04,9]hexadeca-2(10),4(9),5,7-tetraen-6-yl)pyridin-2-one;4-[(5-fluoro-2-pyridinyl)methoxy]-1-(3-methyl-3,5,12-triazatetracyclo[10.2.2.02,10.04,9]hexadeca-2(10),4(9),5,7-tetraen-6-yl)pyridin-2-one;methane;1-(3-methyl-3,5,12-triazatetracyclo[10.2.2.02,10.04,9]hexadeca-2(10),4(9),5,7-tetraen-6-yl)-4-phenylmethoxypyridin-2-one;1-(3-methyl-3,5,12-triazatetracyclo[10.2.2.02,10.04,9]hexadeca-2(10),4(9),5,7-tetraen-6-yl)-4-[4-(trifluoromethyl)phenyl]pyridin-2-one?

The InChIKey is FPDLNTWYPBEFAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F3N4O.C26H24F2N4O2.C26H26N4O2.C25H24FN5O2.4CH4/c1-31-24-17-8-11-32(12-9-17)15-21(24)20-6-7-22(30-25(20)31)33-13-10-18(14-23(33)34)16-2-4-19(5-3-16)26(27,28)29;1-30-25-16-6-9-31(10-7-16)14-21(25)20-4-5-23(29-26(20)30)32-11-8-19(13-24(32)33)34-15-17-2-3-18(27)12-22(17)28;1-28-25-19-9-12-29(13-10-19)16-22(25)21-7-8-23(27-26(21)28)30-14-11-20(15-24(30)31)32-17-18-5-3-2-4-6-18;1-29-24-16-6-9-30(10-7-16)14-21(24)20-4-5-22(28-25(20)29)31-11-8-19(12-23(31)32)33-15-18-3-2-17(26)13-27-18;;;;/h2-7,10,13-14,17H,8-9,11-12,15H2,1H3;2-5,8,11-13,16H,6-7,9-10,14-15H2,1H3;2-8,11,14-15,19H,9-10,12-13,16-17H2,1H3;2-5,8,11-13,16H,6-7,9-10,14-15H2,1H3;4*1H4.

What are the key properties of 4-[(2,4-difluorophenyl)methoxy]-1-(3-methyl-3,5,12-triazatetracyclo[10.2.2.02,10.04,9]hexadeca-2(10),4(9),5,7-tetraen-6-yl)pyridin-2-one;4-[(5-fluoro-2-pyridinyl)methoxy]-1-(3-methyl-3,5,12-triazatetracyclo[10.2.2.02,10.04,9]hexadeca-2(10),4(9),5,7-tetraen-6-yl)pyridin-2-one;methane;1-(3-methyl-3,5,12-triazatetracyclo[10.2.2.02,10.04,9]hexadeca-2(10),4(9),5,7-tetraen-6-yl)-4-phenylmethoxypyridin-2-one;1-(3-methyl-3,5,12-triazatetracyclo[10.2.2.02,10.04,9]hexadeca-2(10),4(9),5,7-tetraen-6-yl)-4-[4-(trifluoromethyl)phenyl]pyridin-2-one?

4-[(2,4-difluorophenyl)methoxy]-1-(3-methyl-3,5,12-triazatetracyclo[10.2.2.02,10.04,9]hexadeca-2(10),4(9),5,7-tetraen-6-yl)pyridin-2-one;4-[(5-fluoro-2-pyridinyl)methoxy]-1-(3-methyl-3,5,12-triazatetracyclo[10.2.2.02,10.04,9]hexadeca-2(10),4(9),5,7-tetraen-6-yl)pyridin-2-one;methane;1-(3-methyl-3,5,12-triazatetracyclo[10.2.2.02,10.04,9]hexadeca-2(10),4(9),5,7-tetraen-6-yl)-4-phenylmethoxypyridin-2-one;1-(3-methyl-3,5,12-triazatetracyclo[10.2.2.02,10.04,9]hexadeca-2(10),4(9),5,7-tetraen-6-yl)-4-[4-(trifluoromethyl)phenyl]pyridin-2-one has a molecular weight of 1863.18 g/mol, XLogP of 19.45, 14 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(2,4-difluorophenyl)methoxy]-1-(3-methyl-3,5,12-triazatetracyclo[10.2.2.02,10.04,9]hexadeca-2(10),4(9),5,7-tetraen-6-yl)pyridin-2-one;4-[(5-fluoro-2-pyridinyl)methoxy]-1-(3-methyl-3,5,12-triazatetracyclo[10.2.2.02,10.04,9]hexadeca-2(10),4(9),5,7-tetraen-6-yl)pyridin-2-one;methane;1-(3-methyl-3,5,12-triazatetracyclo[10.2.2.02,10.04,9]hexadeca-2(10),4(9),5,7-tetraen-6-yl)-4-phenylmethoxypyridin-2-one;1-(3-methyl-3,5,12-triazatetracyclo[10.2.2.02,10.04,9]hexadeca-2(10),4(9),5,7-tetraen-6-yl)-4-[4-(trifluoromethyl)phenyl]pyridin-2-one is sourced from PubChem (CID 158100055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 158100055 — identifiers, structure, computed properties (public domain)

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