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

C23H21FN8O6 — CID 166784799

About 8-[2-[(5-fluoro-2-pyridinyl)amino]-2-oxoethyl]-5-(1-methoxypropan-2-yl)-N-(1,2-oxazol-3-yl)-2,6-dioxo-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]-5-(1-methoxypropan-2-yl)-N-(1,2-oxazol-3-yl)-2,6-dioxo-1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),9,11-triene-11-carboxamide (PubChem CID 166784799) has the molecular formula C23H21FN8O6 and a molecular weight of 524.47 g/mol. Its IUPAC name is 8-[2-[(5-fluoro-2-pyridinyl)amino]-2-oxoethyl]-5-(1-methoxypropan-2-yl)-N-(1,2-oxazol-3-yl)-2,6-dioxo-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]-5-(1-methoxypropan-2-yl)-N-(1,2-oxazol-3-yl)-2,6-dioxo-1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),9,11-triene-11-carboxamide
• PubChem CID: 166784799
• Molecular Formula: C23H21FN8O6
• Molecular Weight: 524.47 g/mol
• Exact Mass: 524.16
• IUPAC Name: 8-[2-[(5-fluoro-2-pyridinyl)amino]-2-oxoethyl]-5-(1-methoxypropan-2-yl)-N-(1,2-oxazol-3-yl)-2,6-dioxo-1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),9,11-triene-11-carboxamide
• SMILES: COCC(C)N1Cc2c(n(CC(=O)Nc3ccc(F)cn3)c3cc(C(=O)Nc4ccon4)nn3c2=O)C1=O
• InChI: InChI=1S/C23H21FN8O6/c1-12(11-37-2)30-9-14-20(23(30)36)31(10-18(33)26-16-4-3-13(24)8-25-16)19-7-15(28-32(19)22(14)35)21(34)27-17-5-6-38-29-17/h3-8,12H,9-11H2,1-2H3,(H,25,26,33)(H,27,29,34)
• InChIKey: JUWVDEPZIGTZII-UHFFFAOYSA-N
• XLogP: 0.90
• TPSA: 165.96 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	524.47
LogP ≤ 5	0.90
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 8-[2-[(5-fluoro-2-pyridinyl)amino]-2-oxoethyl]-5-(1-methoxypropan-2-yl)-N-(1,2-oxazol-3-yl)-2,6-dioxo-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]-5-(1-methoxypropan-2-yl)-N-(1,2-oxazol-3-yl)-2,6-dioxo-1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),9,11-triene-11-carboxamide (CID 166784799) is 8-[2-[(5-fluoro-2-pyridinyl)amino]-2-oxoethyl]-5-(1-methoxypropan-2-yl)-N-(1,2-oxazol-3-yl)-2,6-dioxo-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]-5-(1-methoxypropan-2-yl)-N-(1,2-oxazol-3-yl)-2,6-dioxo-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]-5-(1-methoxypropan-2-yl)-N-(1,2-oxazol-3-yl)-2,6-dioxo-1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),9,11-triene-11-carboxamide is COCC(C)N1Cc2c(n(CC(=O)Nc3ccc(F)cn3)c3cc(C(=O)Nc4ccon4)nn3c2=O)C1=O.

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

The InChIKey is JUWVDEPZIGTZII-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN8O6/c1-12(11-37-2)30-9-14-20(23(30)36)31(10-18(33)26-16-4-3-13(24)8-25-16)19-7-15(28-32(19)22(14)35)21(34)27-17-5-6-38-29-17/h3-8,12H,9-11H2,1-2H3,(H,25,26,33)(H,27,29,34).

What are the key properties of 8-[2-[(5-fluoro-2-pyridinyl)amino]-2-oxoethyl]-5-(1-methoxypropan-2-yl)-N-(1,2-oxazol-3-yl)-2,6-dioxo-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]-5-(1-methoxypropan-2-yl)-N-(1,2-oxazol-3-yl)-2,6-dioxo-1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),9,11-triene-11-carboxamide has a molecular weight of 524.47 g/mol, XLogP of 0.90, 8 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[2-[(5-fluoro-2-pyridinyl)amino]-2-oxoethyl]-5-(1-methoxypropan-2-yl)-N-(1,2-oxazol-3-yl)-2,6-dioxo-1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),9,11-triene-11-carboxamide is sourced from PubChem (CID 166784799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).