8-[2-[(5-fluoro-2-pyridinyl)amino]-2-oxoethyl]-N-(2-methoxyphenyl)-2,6-dioxo-5-propan-2-yl-1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),9,11-triene-11-carboxamide

C26H24FN7O5 — CID 142565150

About 8-[2-[(5-fluoro-2-pyridinyl)amino]-2-oxoethyl]-N-(2-methoxyphenyl)-2,6-dioxo-5-propan-2-yl-1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),9,11-triene-11-carboxamide

8-[2-[(5-fluoro-2-pyridinyl)amino]-2-oxoethyl]-N-(2-methoxyphenyl)-2,6-dioxo-5-propan-2-yl-1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),9,11-triene-11-carboxamide (PubChem CID 142565150) has the molecular formula C26H24FN7O5 and a molecular weight of 533.52 g/mol. Its IUPAC name is 8-[2-[(5-fluoro-2-pyridinyl)amino]-2-oxoethyl]-N-(2-methoxyphenyl)-2,6-dioxo-5-propan-2-yl-1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),9,11-triene-11-carboxamide.

Molecular Properties

• Compound Name: 8-[2-[(5-fluoro-2-pyridinyl)amino]-2-oxoethyl]-N-(2-methoxyphenyl)-2,6-dioxo-5-propan-2-yl-1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),9,11-triene-11-carboxamide
• PubChem CID: 142565150
• Molecular Formula: C26H24FN7O5
• Molecular Weight: 533.52 g/mol
• Exact Mass: 533.18
• IUPAC Name: 8-[2-[(5-fluoro-2-pyridinyl)amino]-2-oxoethyl]-N-(2-methoxyphenyl)-2,6-dioxo-5-propan-2-yl-1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),9,11-triene-11-carboxamide
• SMILES: COc1ccccc1NC(=O)c1cc2n(CC(=O)Nc3ccc(F)cn3)c3c(c(=O)n2n1)CN(C(C)C)C3=O
• InChI: InChI=1S/C26H24FN7O5/c1-14(2)32-12-16-23(26(32)38)33(13-21(35)30-20-9-8-15(27)11-28-20)22-10-18(31-34(22)25(16)37)24(36)29-17-6-4-5-7-19(17)39-3/h4-11,14H,12-13H2,1-3H3,(H,29,36)(H,28,30,35)
• InChIKey: RODFZGGADJVTLL-UHFFFAOYSA-N
• XLogP: 2.29
• TPSA: 139.93 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	533.52
LogP ≤ 5	2.29
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 8-[2-[(5-fluoro-2-pyridinyl)amino]-2-oxoethyl]-N-(2-methoxyphenyl)-2,6-dioxo-5-propan-2-yl-1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),9,11-triene-11-carboxamide?

The IUPAC name of 8-[2-[(5-fluoro-2-pyridinyl)amino]-2-oxoethyl]-N-(2-methoxyphenyl)-2,6-dioxo-5-propan-2-yl-1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),9,11-triene-11-carboxamide (CID 142565150) is 8-[2-[(5-fluoro-2-pyridinyl)amino]-2-oxoethyl]-N-(2-methoxyphenyl)-2,6-dioxo-5-propan-2-yl-1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),9,11-triene-11-carboxamide.

What is the SMILES notation for 8-[2-[(5-fluoro-2-pyridinyl)amino]-2-oxoethyl]-N-(2-methoxyphenyl)-2,6-dioxo-5-propan-2-yl-1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),9,11-triene-11-carboxamide?

The canonical SMILES for 8-[2-[(5-fluoro-2-pyridinyl)amino]-2-oxoethyl]-N-(2-methoxyphenyl)-2,6-dioxo-5-propan-2-yl-1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),9,11-triene-11-carboxamide is COc1ccccc1NC(=O)c1cc2n(CC(=O)Nc3ccc(F)cn3)c3c(c(=O)n2n1)CN(C(C)C)C3=O.

What is the InChIKey of 8-[2-[(5-fluoro-2-pyridinyl)amino]-2-oxoethyl]-N-(2-methoxyphenyl)-2,6-dioxo-5-propan-2-yl-1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),9,11-triene-11-carboxamide?

The InChIKey is RODFZGGADJVTLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN7O5/c1-14(2)32-12-16-23(26(32)38)33(13-21(35)30-20-9-8-15(27)11-28-20)22-10-18(31-34(22)25(16)37)24(36)29-17-6-4-5-7-19(17)39-3/h4-11,14H,12-13H2,1-3H3,(H,29,36)(H,28,30,35).

What are the key properties of 8-[2-[(5-fluoro-2-pyridinyl)amino]-2-oxoethyl]-N-(2-methoxyphenyl)-2,6-dioxo-5-propan-2-yl-1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),9,11-triene-11-carboxamide?

8-[2-[(5-fluoro-2-pyridinyl)amino]-2-oxoethyl]-N-(2-methoxyphenyl)-2,6-dioxo-5-propan-2-yl-1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),9,11-triene-11-carboxamide has a molecular weight of 533.52 g/mol, XLogP of 2.29, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[2-[(5-fluoro-2-pyridinyl)amino]-2-oxoethyl]-N-(2-methoxyphenyl)-2,6-dioxo-5-propan-2-yl-1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),9,11-triene-11-carboxamide is sourced from PubChem (CID 142565150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).