N-(5-fluoro-2-pyridinyl)-2-[11-(2-hydroxyethylamino)-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 hydrogen

C20H24FN7O4 — CID 159497941

About N-(5-fluoro-2-pyridinyl)-2-[11-(2-hydroxyethylamino)-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 hydrogen

N-(5-fluoro-2-pyridinyl)-2-[11-(2-hydroxyethylamino)-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 hydrogen (PubChem CID 159497941) has the molecular formula C20H24FN7O4 and a molecular weight of 445.46 g/mol. Its IUPAC name is N-(5-fluoro-2-pyridinyl)-2-[11-(2-hydroxyethylamino)-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 hydrogen.

Molecular Properties

• Compound Name: N-(5-fluoro-2-pyridinyl)-2-[11-(2-hydroxyethylamino)-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 hydrogen
• PubChem CID: 159497941
• Molecular Formula: C20H24FN7O4
• Molecular Weight: 445.46 g/mol
• Exact Mass: 445.19
• IUPAC Name: N-(5-fluoro-2-pyridinyl)-2-[11-(2-hydroxyethylamino)-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 hydrogen
• SMILES: CC(C)N1Cc2c(n(CC(=O)Nc3ccc(F)cn3)c3cc(NCCO)nn3c2=O)C1=O.[H][H]
• InChI: InChI=1S/C20H22FN7O4.H2/c1-11(2)26-9-13-18(20(26)32)27(10-16(30)24-14-4-3-12(21)8-23-14)17-7-15(22-5-6-29)25-28(17)19(13)31;/h3-4,7-8,11,29H,5-6,9-10H2,1-2H3,(H,22,25)(H,23,24,30);1H
• InChIKey: LZAAGIRZEKVOSD-UHFFFAOYSA-N
• XLogP: 0.68
• TPSA: 133.86 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	445.46
LogP ≤ 5	0.68
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-pyridinyl)-2-[11-(2-hydroxyethylamino)-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 hydrogen?

The IUPAC name of N-(5-fluoro-2-pyridinyl)-2-[11-(2-hydroxyethylamino)-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 hydrogen (CID 159497941) is N-(5-fluoro-2-pyridinyl)-2-[11-(2-hydroxyethylamino)-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 hydrogen.

What is the SMILES notation for N-(5-fluoro-2-pyridinyl)-2-[11-(2-hydroxyethylamino)-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 hydrogen?

The canonical SMILES for N-(5-fluoro-2-pyridinyl)-2-[11-(2-hydroxyethylamino)-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 hydrogen is CC(C)N1Cc2c(n(CC(=O)Nc3ccc(F)cn3)c3cc(NCCO)nn3c2=O)C1=O.[H][H].

What is the InChIKey of N-(5-fluoro-2-pyridinyl)-2-[11-(2-hydroxyethylamino)-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 hydrogen?

The InChIKey is LZAAGIRZEKVOSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN7O4.H2/c1-11(2)26-9-13-18(20(26)32)27(10-16(30)24-14-4-3-12(21)8-23-14)17-7-15(22-5-6-29)25-28(17)19(13)31;/h3-4,7-8,11,29H,5-6,9-10H2,1-2H3,(H,22,25)(H,23,24,30);1H.

What are the key properties of N-(5-fluoro-2-pyridinyl)-2-[11-(2-hydroxyethylamino)-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 hydrogen?

N-(5-fluoro-2-pyridinyl)-2-[11-(2-hydroxyethylamino)-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 hydrogen has a molecular weight of 445.46 g/mol, XLogP of 0.68, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-fluoro-2-pyridinyl)-2-[11-(2-hydroxyethylamino)-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 hydrogen is sourced from PubChem (CID 159497941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).