2-[11-(2-cyclopropyl-5-methyl-4-pyridinyl)-2,6-dioxo-5-propan-2-yl-1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),9,11-trien-8-yl]-N-(5-fluoro-2-pyridinyl)acetamide

C27H26FN7O3 — CID 156704031

About 2-[11-(2-cyclopropyl-5-methyl-4-pyridinyl)-2,6-dioxo-5-propan-2-yl-1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),9,11-trien-8-yl]-N-(5-fluoro-2-pyridinyl)acetamide

2-[11-(2-cyclopropyl-5-methyl-4-pyridinyl)-2,6-dioxo-5-propan-2-yl-1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),9,11-trien-8-yl]-N-(5-fluoro-2-pyridinyl)acetamide (PubChem CID 156704031) has the molecular formula C27H26FN7O3 and a molecular weight of 515.55 g/mol. Its IUPAC name is 2-[11-(2-cyclopropyl-5-methyl-4-pyridinyl)-2,6-dioxo-5-propan-2-yl-1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),9,11-trien-8-yl]-N-(5-fluoro-2-pyridinyl)acetamide.

Molecular Properties

• Compound Name: 2-[11-(2-cyclopropyl-5-methyl-4-pyridinyl)-2,6-dioxo-5-propan-2-yl-1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),9,11-trien-8-yl]-N-(5-fluoro-2-pyridinyl)acetamide
• PubChem CID: 156704031
• Molecular Formula: C27H26FN7O3
• Molecular Weight: 515.55 g/mol
• Exact Mass: 515.21
• IUPAC Name: 2-[11-(2-cyclopropyl-5-methyl-4-pyridinyl)-2,6-dioxo-5-propan-2-yl-1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),9,11-trien-8-yl]-N-(5-fluoro-2-pyridinyl)acetamide
• SMILES: Cc1cnc(C2CC2)cc1-c1cc2n(CC(=O)Nc3ccc(F)cn3)c3c(c(=O)n2n1)CN(C(C)C)C3=O
• InChI: InChI=1S/C27H26FN7O3/c1-14(2)33-12-19-25(27(33)38)34(13-23(36)31-22-7-6-17(28)11-30-22)24-9-21(32-35(24)26(19)37)18-8-20(16-4-5-16)29-10-15(18)3/h6-11,14,16H,4-5,12-13H2,1-3H3,(H,30,31,36)
• InChIKey: RTNPNHHSXKFFOP-UHFFFAOYSA-N
• XLogP: 3.28
• TPSA: 114.49 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	515.55
LogP ≤ 5	3.28
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[11-(2-cyclopropyl-5-methyl-4-pyridinyl)-2,6-dioxo-5-propan-2-yl-1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),9,11-trien-8-yl]-N-(5-fluoro-2-pyridinyl)acetamide?

The IUPAC name of 2-[11-(2-cyclopropyl-5-methyl-4-pyridinyl)-2,6-dioxo-5-propan-2-yl-1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),9,11-trien-8-yl]-N-(5-fluoro-2-pyridinyl)acetamide (CID 156704031) is 2-[11-(2-cyclopropyl-5-methyl-4-pyridinyl)-2,6-dioxo-5-propan-2-yl-1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),9,11-trien-8-yl]-N-(5-fluoro-2-pyridinyl)acetamide.

What is the SMILES notation for 2-[11-(2-cyclopropyl-5-methyl-4-pyridinyl)-2,6-dioxo-5-propan-2-yl-1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),9,11-trien-8-yl]-N-(5-fluoro-2-pyridinyl)acetamide?

The canonical SMILES for 2-[11-(2-cyclopropyl-5-methyl-4-pyridinyl)-2,6-dioxo-5-propan-2-yl-1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),9,11-trien-8-yl]-N-(5-fluoro-2-pyridinyl)acetamide is Cc1cnc(C2CC2)cc1-c1cc2n(CC(=O)Nc3ccc(F)cn3)c3c(c(=O)n2n1)CN(C(C)C)C3=O.

What is the InChIKey of 2-[11-(2-cyclopropyl-5-methyl-4-pyridinyl)-2,6-dioxo-5-propan-2-yl-1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),9,11-trien-8-yl]-N-(5-fluoro-2-pyridinyl)acetamide?

The InChIKey is RTNPNHHSXKFFOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26FN7O3/c1-14(2)33-12-19-25(27(33)38)34(13-23(36)31-22-7-6-17(28)11-30-22)24-9-21(32-35(24)26(19)37)18-8-20(16-4-5-16)29-10-15(18)3/h6-11,14,16H,4-5,12-13H2,1-3H3,(H,30,31,36).

What are the key properties of 2-[11-(2-cyclopropyl-5-methyl-4-pyridinyl)-2,6-dioxo-5-propan-2-yl-1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),9,11-trien-8-yl]-N-(5-fluoro-2-pyridinyl)acetamide?

2-[11-(2-cyclopropyl-5-methyl-4-pyridinyl)-2,6-dioxo-5-propan-2-yl-1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),9,11-trien-8-yl]-N-(5-fluoro-2-pyridinyl)acetamide has a molecular weight of 515.55 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[11-(2-cyclopropyl-5-methyl-4-pyridinyl)-2,6-dioxo-5-propan-2-yl-1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),9,11-trien-8-yl]-N-(5-fluoro-2-pyridinyl)acetamide is sourced from PubChem (CID 156704031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).