N-(5-fluoro-2-pyridinyl)-2-[11-(4-methylpiperazine-1-carbonyl)-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]acetamide

C24H27FN8O4 — CID 142565229

About N-(5-fluoro-2-pyridinyl)-2-[11-(4-methylpiperazine-1-carbonyl)-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]acetamide

N-(5-fluoro-2-pyridinyl)-2-[11-(4-methylpiperazine-1-carbonyl)-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]acetamide (PubChem CID 142565229) has the molecular formula C24H27FN8O4 and a molecular weight of 510.53 g/mol. Its IUPAC name is N-(5-fluoro-2-pyridinyl)-2-[11-(4-methylpiperazine-1-carbonyl)-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]acetamide.

Molecular Properties

• Compound Name: N-(5-fluoro-2-pyridinyl)-2-[11-(4-methylpiperazine-1-carbonyl)-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]acetamide
• PubChem CID: 142565229
• Molecular Formula: C24H27FN8O4
• Molecular Weight: 510.53 g/mol
• Exact Mass: 510.21
• IUPAC Name: N-(5-fluoro-2-pyridinyl)-2-[11-(4-methylpiperazine-1-carbonyl)-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]acetamide
• SMILES: CC(C)N1Cc2c(n(CC(=O)Nc3ccc(F)cn3)c3cc(C(=O)N4CCN(C)CC4)nn3c2=O)C1=O
• InChI: InChI=1S/C24H27FN8O4/c1-14(2)31-12-16-21(24(31)37)32(13-19(34)27-18-5-4-15(25)11-26-18)20-10-17(28-33(20)22(16)35)23(36)30-8-6-29(3)7-9-30/h4-5,10-11,14H,6-9,12-13H2,1-3H3,(H,26,27,34)
• InChIKey: FCSRNMGUNZGVHQ-UHFFFAOYSA-N
• XLogP: 0.42
• TPSA: 125.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	510.53
LogP ≤ 5	0.42
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-pyridinyl)-2-[11-(4-methylpiperazine-1-carbonyl)-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]acetamide?

The IUPAC name of N-(5-fluoro-2-pyridinyl)-2-[11-(4-methylpiperazine-1-carbonyl)-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]acetamide (CID 142565229) is N-(5-fluoro-2-pyridinyl)-2-[11-(4-methylpiperazine-1-carbonyl)-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]acetamide.

What is the SMILES notation for N-(5-fluoro-2-pyridinyl)-2-[11-(4-methylpiperazine-1-carbonyl)-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]acetamide?

The canonical SMILES for N-(5-fluoro-2-pyridinyl)-2-[11-(4-methylpiperazine-1-carbonyl)-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]acetamide is CC(C)N1Cc2c(n(CC(=O)Nc3ccc(F)cn3)c3cc(C(=O)N4CCN(C)CC4)nn3c2=O)C1=O.

What is the InChIKey of N-(5-fluoro-2-pyridinyl)-2-[11-(4-methylpiperazine-1-carbonyl)-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]acetamide?

The InChIKey is FCSRNMGUNZGVHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN8O4/c1-14(2)31-12-16-21(24(31)37)32(13-19(34)27-18-5-4-15(25)11-26-18)20-10-17(28-33(20)22(16)35)23(36)30-8-6-29(3)7-9-30/h4-5,10-11,14H,6-9,12-13H2,1-3H3,(H,26,27,34).

What are the key properties of N-(5-fluoro-2-pyridinyl)-2-[11-(4-methylpiperazine-1-carbonyl)-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]acetamide?

N-(5-fluoro-2-pyridinyl)-2-[11-(4-methylpiperazine-1-carbonyl)-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]acetamide has a molecular weight of 510.53 g/mol, XLogP of 0.42, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-fluoro-2-pyridinyl)-2-[11-(4-methylpiperazine-1-carbonyl)-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]acetamide is sourced from PubChem (CID 142565229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).