4-[(4-chloro-2-fluorophenyl)methoxy]-1-(8-methyl-6,8-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraen-5-yl)pyridin-2-one;4-[(5-chloro-2-pyridinyl)methoxy]-1-(8-methyl-6,8-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraen-5-yl)pyridin-2-one;1-(12-cyclobutyl-8-methyl-6,8,12-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraen-5-yl)-4-phenylmethoxypyridin-2-one;4-[(2,4-difluorophenyl)methoxy]-1-(8-methyl-6,8-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraen-5-yl)pyridin-2-one

C102H99Cl2F3N14O8 — CID 123903915

About 4-[(4-chloro-2-fluorophenyl)methoxy]-1-(8-methyl-6,8-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraen-5-yl)pyridin-2-one;4-[(5-chloro-2-pyridinyl)methoxy]-1-(8-methyl-6,8-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraen-5-yl)pyridin-2-one;1-(12-cyclobutyl-8-methyl-6,8,12-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraen-5-yl)-4-phenylmethoxypyridin-2-one;4-[(2,4-difluorophenyl)methoxy]-1-(8-methyl-6,8-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraen-5-yl)pyridin-2-one

4-[(4-chloro-2-fluorophenyl)methoxy]-1-(8-methyl-6,8-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraen-5-yl)pyridin-2-one;4-[(5-chloro-2-pyridinyl)methoxy]-1-(8-methyl-6,8-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraen-5-yl)pyridin-2-one;1-(12-cyclobutyl-8-methyl-6,8,12-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraen-5-yl)-4-phenylmethoxypyridin-2-one;4-[(2,4-difluorophenyl)methoxy]-1-(8-methyl-6,8-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraen-5-yl)pyridin-2-one (PubChem CID 123903915) has the molecular formula C102H99Cl2F3N14O8 and a molecular weight of 1776.90 g/mol. Its IUPAC name is 4-[(4-chloro-2-fluorophenyl)methoxy]-1-(8-methyl-6,8-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraen-5-yl)pyridin-2-one;4-[(5-chloro-2-pyridinyl)methoxy]-1-(8-methyl-6,8-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraen-5-yl)pyridin-2-one;1-(12-cyclobutyl-8-methyl-6,8,12-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraen-5-yl)-4-phenylmethoxypyridin-2-one;4-[(2,4-difluorophenyl)methoxy]-1-(8-methyl-6,8-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraen-5-yl)pyridin-2-one.

Molecular Properties

• Compound Name: 4-[(4-chloro-2-fluorophenyl)methoxy]-1-(8-methyl-6,8-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraen-5-yl)pyridin-2-one;4-[(5-chloro-2-pyridinyl)methoxy]-1-(8-methyl-6,8-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraen-5-yl)pyridin-2-one;1-(12-cyclobutyl-8-methyl-6,8,12-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraen-5-yl)-4-phenylmethoxypyridin-2-one;4-[(2,4-difluorophenyl)methoxy]-1-(8-methyl-6,8-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraen-5-yl)pyridin-2-one
• PubChem CID: 123903915
• Molecular Formula: C102H99Cl2F3N14O8
• Molecular Weight: 1776.90 g/mol
• Exact Mass: 1774.71
• IUPAC Name: 4-[(4-chloro-2-fluorophenyl)methoxy]-1-(8-methyl-6,8-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraen-5-yl)pyridin-2-one;4-[(5-chloro-2-pyridinyl)methoxy]-1-(8-methyl-6,8-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraen-5-yl)pyridin-2-one;1-(12-cyclobutyl-8-methyl-6,8,12-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraen-5-yl)-4-phenylmethoxypyridin-2-one;4-[(2,4-difluorophenyl)methoxy]-1-(8-methyl-6,8-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraen-5-yl)pyridin-2-one
• SMILES: Cn1c2c(c3ccc(-n4ccc(OCc5ccc(Cl)cc5F)cc4=O)nc31)CCCCC2.Cn1c2c(c3ccc(-n4ccc(OCc5ccc(Cl)cn5)cc4=O)nc31)CCCCC2.Cn1c2c(c3ccc(-n4ccc(OCc5ccc(F)cc5F)cc4=O)nc31)CCCCC2.Cn1c2c(c3ccc(-n4ccc(OCc5ccccc5)cc4=O)nc31)CCN(C1CCC1)CC2
• InChI: InChI=1S/C28H30N4O2.C25H23ClFN3O2.C25H23F2N3O2.C24H23ClN4O2/c1-30-25-14-16-31(21-8-5-9-21)15-13-23(25)24-10-11-26(29-28(24)30)32-17-12-22(18-27(32)33)34-19-20-6-3-2-4-7-20;2*1-29-22-6-4-2-3-5-19(22)20-9-10-23(28-25(20)29)30-12-11-18(14-24(30)31)32-15-16-7-8-17(26)13-21(16)27;1-28-21-6-4-2-3-5-19(21)20-9-10-22(27-24(20)28)29-12-11-18(13-23(29)30)31-15-17-8-7-16(25)14-26-17/h2-4,6-7,10-12,17-18,21H,5,8-9,13-16,19H2,1H3;2*7-14H,2-6,15H2,1H3;7-14H,2-6,15H2,1H3
• InChIKey: RDFJXKABLCPLIO-UHFFFAOYSA-N
• XLogP: 19.09
• TPSA: 212.33 Ų
• H-Bond Acceptors: 22
• Rotatable Bonds: 17
• Heavy Atoms: 129
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1776.90
LogP ≤ 5	19.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chloro-2-fluorophenyl)methoxy]-1-(8-methyl-6,8-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraen-5-yl)pyridin-2-one;4-[(5-chloro-2-pyridinyl)methoxy]-1-(8-methyl-6,8-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraen-5-yl)pyridin-2-one;1-(12-cyclobutyl-8-methyl-6,8,12-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraen-5-yl)-4-phenylmethoxypyridin-2-one;4-[(2,4-difluorophenyl)methoxy]-1-(8-methyl-6,8-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraen-5-yl)pyridin-2-one?

The IUPAC name of 4-[(4-chloro-2-fluorophenyl)methoxy]-1-(8-methyl-6,8-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraen-5-yl)pyridin-2-one;4-[(5-chloro-2-pyridinyl)methoxy]-1-(8-methyl-6,8-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraen-5-yl)pyridin-2-one;1-(12-cyclobutyl-8-methyl-6,8,12-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraen-5-yl)-4-phenylmethoxypyridin-2-one;4-[(2,4-difluorophenyl)methoxy]-1-(8-methyl-6,8-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraen-5-yl)pyridin-2-one (CID 123903915) is 4-[(4-chloro-2-fluorophenyl)methoxy]-1-(8-methyl-6,8-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraen-5-yl)pyridin-2-one;4-[(5-chloro-2-pyridinyl)methoxy]-1-(8-methyl-6,8-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraen-5-yl)pyridin-2-one;1-(12-cyclobutyl-8-methyl-6,8,12-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraen-5-yl)-4-phenylmethoxypyridin-2-one;4-[(2,4-difluorophenyl)methoxy]-1-(8-methyl-6,8-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraen-5-yl)pyridin-2-one.

What is the SMILES notation for 4-[(4-chloro-2-fluorophenyl)methoxy]-1-(8-methyl-6,8-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraen-5-yl)pyridin-2-one;4-[(5-chloro-2-pyridinyl)methoxy]-1-(8-methyl-6,8-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraen-5-yl)pyridin-2-one;1-(12-cyclobutyl-8-methyl-6,8,12-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraen-5-yl)-4-phenylmethoxypyridin-2-one;4-[(2,4-difluorophenyl)methoxy]-1-(8-methyl-6,8-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraen-5-yl)pyridin-2-one?

The canonical SMILES for 4-[(4-chloro-2-fluorophenyl)methoxy]-1-(8-methyl-6,8-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraen-5-yl)pyridin-2-one;4-[(5-chloro-2-pyridinyl)methoxy]-1-(8-methyl-6,8-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraen-5-yl)pyridin-2-one;1-(12-cyclobutyl-8-methyl-6,8,12-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraen-5-yl)-4-phenylmethoxypyridin-2-one;4-[(2,4-difluorophenyl)methoxy]-1-(8-methyl-6,8-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraen-5-yl)pyridin-2-one is Cn1c2c(c3ccc(-n4ccc(OCc5ccc(Cl)cc5F)cc4=O)nc31)CCCCC2.Cn1c2c(c3ccc(-n4ccc(OCc5ccc(Cl)cn5)cc4=O)nc31)CCCCC2.Cn1c2c(c3ccc(-n4ccc(OCc5ccc(F)cc5F)cc4=O)nc31)CCCCC2.Cn1c2c(c3ccc(-n4ccc(OCc5ccccc5)cc4=O)nc31)CCN(C1CCC1)CC2.

What is the InChIKey of 4-[(4-chloro-2-fluorophenyl)methoxy]-1-(8-methyl-6,8-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraen-5-yl)pyridin-2-one;4-[(5-chloro-2-pyridinyl)methoxy]-1-(8-methyl-6,8-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraen-5-yl)pyridin-2-one;1-(12-cyclobutyl-8-methyl-6,8,12-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraen-5-yl)-4-phenylmethoxypyridin-2-one;4-[(2,4-difluorophenyl)methoxy]-1-(8-methyl-6,8-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraen-5-yl)pyridin-2-one?

The InChIKey is RDFJXKABLCPLIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N4O2.C25H23ClFN3O2.C25H23F2N3O2.C24H23ClN4O2/c1-30-25-14-16-31(21-8-5-9-21)15-13-23(25)24-10-11-26(29-28(24)30)32-17-12-22(18-27(32)33)34-19-20-6-3-2-4-7-20;2*1-29-22-6-4-2-3-5-19(22)20-9-10-23(28-25(20)29)30-12-11-18(14-24(30)31)32-15-16-7-8-17(26)13-21(16)27;1-28-21-6-4-2-3-5-19(21)20-9-10-22(27-24(20)28)29-12-11-18(13-23(29)30)31-15-17-8-7-16(25)14-26-17/h2-4,6-7,10-12,17-18,21H,5,8-9,13-16,19H2,1H3;2*7-14H,2-6,15H2,1H3;7-14H,2-6,15H2,1H3.

What are the key properties of 4-[(4-chloro-2-fluorophenyl)methoxy]-1-(8-methyl-6,8-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraen-5-yl)pyridin-2-one;4-[(5-chloro-2-pyridinyl)methoxy]-1-(8-methyl-6,8-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraen-5-yl)pyridin-2-one;1-(12-cyclobutyl-8-methyl-6,8,12-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraen-5-yl)-4-phenylmethoxypyridin-2-one;4-[(2,4-difluorophenyl)methoxy]-1-(8-methyl-6,8-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraen-5-yl)pyridin-2-one?

4-[(4-chloro-2-fluorophenyl)methoxy]-1-(8-methyl-6,8-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraen-5-yl)pyridin-2-one;4-[(5-chloro-2-pyridinyl)methoxy]-1-(8-methyl-6,8-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraen-5-yl)pyridin-2-one;1-(12-cyclobutyl-8-methyl-6,8,12-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraen-5-yl)-4-phenylmethoxypyridin-2-one;4-[(2,4-difluorophenyl)methoxy]-1-(8-methyl-6,8-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraen-5-yl)pyridin-2-one has a molecular weight of 1776.90 g/mol, XLogP of 19.09, 17 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(4-chloro-2-fluorophenyl)methoxy]-1-(8-methyl-6,8-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraen-5-yl)pyridin-2-one;4-[(5-chloro-2-pyridinyl)methoxy]-1-(8-methyl-6,8-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraen-5-yl)pyridin-2-one;1-(12-cyclobutyl-8-methyl-6,8,12-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraen-5-yl)-4-phenylmethoxypyridin-2-one;4-[(2,4-difluorophenyl)methoxy]-1-(8-methyl-6,8-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraen-5-yl)pyridin-2-one is sourced from PubChem (CID 123903915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).