8-[2-[(5-fluoro-2-pyridinyl)amino]-2-oxoethyl]-N-(1,3-oxazol-2-yl)-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

C22H19FN8O5 — CID 142565096

About 8-[2-[(5-fluoro-2-pyridinyl)amino]-2-oxoethyl]-N-(1,3-oxazol-2-yl)-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-(1,3-oxazol-2-yl)-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 142565096) has the molecular formula C22H19FN8O5 and a molecular weight of 494.44 g/mol. Its IUPAC name is 8-[2-[(5-fluoro-2-pyridinyl)amino]-2-oxoethyl]-N-(1,3-oxazol-2-yl)-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-(1,3-oxazol-2-yl)-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: 142565096
• Molecular Formula: C22H19FN8O5
• Molecular Weight: 494.44 g/mol
• Exact Mass: 494.15
• IUPAC Name: 8-[2-[(5-fluoro-2-pyridinyl)amino]-2-oxoethyl]-N-(1,3-oxazol-2-yl)-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: CC(C)N1Cc2c(n(CC(=O)Nc3ccc(F)cn3)c3cc(C(=O)Nc4ncco4)nn3c2=O)C1=O
• InChI: InChI=1S/C22H19FN8O5/c1-11(2)29-9-13-18(21(29)35)30(10-16(32)26-15-4-3-12(23)8-25-15)17-7-14(28-31(17)20(13)34)19(33)27-22-24-5-6-36-22/h3-8,11H,9-10H2,1-2H3,(H,24,27,33)(H,25,26,32)
• InChIKey: PBVCIRYAVPXFSZ-UHFFFAOYSA-N
• XLogP: 1.27
• TPSA: 156.73 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	494.44
LogP ≤ 5	1.27
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 8-[2-[(5-fluoro-2-pyridinyl)amino]-2-oxoethyl]-N-(1,3-oxazol-2-yl)-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-(1,3-oxazol-2-yl)-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 142565096) is 8-[2-[(5-fluoro-2-pyridinyl)amino]-2-oxoethyl]-N-(1,3-oxazol-2-yl)-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-(1,3-oxazol-2-yl)-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-(1,3-oxazol-2-yl)-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 CC(C)N1Cc2c(n(CC(=O)Nc3ccc(F)cn3)c3cc(C(=O)Nc4ncco4)nn3c2=O)C1=O.

What is the InChIKey of 8-[2-[(5-fluoro-2-pyridinyl)amino]-2-oxoethyl]-N-(1,3-oxazol-2-yl)-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 PBVCIRYAVPXFSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN8O5/c1-11(2)29-9-13-18(21(29)35)30(10-16(32)26-15-4-3-12(23)8-25-15)17-7-14(28-31(17)20(13)34)19(33)27-22-24-5-6-36-22/h3-8,11H,9-10H2,1-2H3,(H,24,27,33)(H,25,26,32).

What are the key properties of 8-[2-[(5-fluoro-2-pyridinyl)amino]-2-oxoethyl]-N-(1,3-oxazol-2-yl)-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-(1,3-oxazol-2-yl)-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 494.44 g/mol, XLogP of 1.27, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[2-[(5-fluoro-2-pyridinyl)amino]-2-oxoethyl]-N-(1,3-oxazol-2-yl)-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 142565096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).