[7-(dimethylamino)-1-[[1-[[7-fluoro-4-(2-methylpropyl)-3H-imidazo[4,5-c]pyridin-2-yl]methyl]-6-(2-methylpropyl)-2-oxo-3-pyridinyl]amino]-1,7-dioxohept-5-en-2-yl]carbamic acid

C30H40FN7O5 — CID 146348896

About [7-(dimethylamino)-1-[[1-[[7-fluoro-4-(2-methylpropyl)-3H-imidazo[4,5-c]pyridin-2-yl]methyl]-6-(2-methylpropyl)-2-oxo-3-pyridinyl]amino]-1,7-dioxohept-5-en-2-yl]carbamic acid

[7-(dimethylamino)-1-[[1-[[7-fluoro-4-(2-methylpropyl)-3H-imidazo[4,5-c]pyridin-2-yl]methyl]-6-(2-methylpropyl)-2-oxo-3-pyridinyl]amino]-1,7-dioxohept-5-en-2-yl]carbamic acid (PubChem CID 146348896) has the molecular formula C30H40FN7O5 and a molecular weight of 597.69 g/mol. Its IUPAC name is [7-(dimethylamino)-1-[[1-[[7-fluoro-4-(2-methylpropyl)-3H-imidazo[4,5-c]pyridin-2-yl]methyl]-6-(2-methylpropyl)-2-oxo-3-pyridinyl]amino]-1,7-dioxohept-5-en-2-yl]carbamic acid.

Molecular Properties

• Compound Name: [7-(dimethylamino)-1-[[1-[[7-fluoro-4-(2-methylpropyl)-3H-imidazo[4,5-c]pyridin-2-yl]methyl]-6-(2-methylpropyl)-2-oxo-3-pyridinyl]amino]-1,7-dioxohept-5-en-2-yl]carbamic acid
• PubChem CID: 146348896
• Molecular Formula: C30H40FN7O5
• Molecular Weight: 597.69 g/mol
• Exact Mass: 597.31
• IUPAC Name: [7-(dimethylamino)-1-[[1-[[7-fluoro-4-(2-methylpropyl)-3H-imidazo[4,5-c]pyridin-2-yl]methyl]-6-(2-methylpropyl)-2-oxo-3-pyridinyl]amino]-1,7-dioxohept-5-en-2-yl]carbamic acid
• SMILES: CC(C)Cc1ncc(F)c2nc(Cn3c(CC(C)C)ccc(NC(=O)C(CCC=CC(=O)N(C)C)NC(=O)O)c3=O)[nH]c12
• InChI: InChI=1S/C30H40FN7O5/c1-17(2)13-19-11-12-22(33-28(40)21(34-30(42)43)9-7-8-10-25(39)37(5)6)29(41)38(19)16-24-35-26-20(31)15-32-23(14-18(3)4)27(26)36-24/h8,10-12,15,17-18,21,34H,7,9,13-14,16H2,1-6H3,(H,33,40)(H,35,36)(H,42,43)
• InChIKey: GWQRZOJPJLCGBF-UHFFFAOYSA-N
• XLogP: 3.70
• TPSA: 162.31 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 13
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	597.69
LogP ≤ 5	3.70
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [7-(dimethylamino)-1-[[1-[[7-fluoro-4-(2-methylpropyl)-3H-imidazo[4,5-c]pyridin-2-yl]methyl]-6-(2-methylpropyl)-2-oxo-3-pyridinyl]amino]-1,7-dioxohept-5-en-2-yl]carbamic acid?

The IUPAC name of [7-(dimethylamino)-1-[[1-[[7-fluoro-4-(2-methylpropyl)-3H-imidazo[4,5-c]pyridin-2-yl]methyl]-6-(2-methylpropyl)-2-oxo-3-pyridinyl]amino]-1,7-dioxohept-5-en-2-yl]carbamic acid (CID 146348896) is [7-(dimethylamino)-1-[[1-[[7-fluoro-4-(2-methylpropyl)-3H-imidazo[4,5-c]pyridin-2-yl]methyl]-6-(2-methylpropyl)-2-oxo-3-pyridinyl]amino]-1,7-dioxohept-5-en-2-yl]carbamic acid.

What is the SMILES notation for [7-(dimethylamino)-1-[[1-[[7-fluoro-4-(2-methylpropyl)-3H-imidazo[4,5-c]pyridin-2-yl]methyl]-6-(2-methylpropyl)-2-oxo-3-pyridinyl]amino]-1,7-dioxohept-5-en-2-yl]carbamic acid?

The canonical SMILES for [7-(dimethylamino)-1-[[1-[[7-fluoro-4-(2-methylpropyl)-3H-imidazo[4,5-c]pyridin-2-yl]methyl]-6-(2-methylpropyl)-2-oxo-3-pyridinyl]amino]-1,7-dioxohept-5-en-2-yl]carbamic acid is CC(C)Cc1ncc(F)c2nc(Cn3c(CC(C)C)ccc(NC(=O)C(CCC=CC(=O)N(C)C)NC(=O)O)c3=O)[nH]c12.

What is the InChIKey of [7-(dimethylamino)-1-[[1-[[7-fluoro-4-(2-methylpropyl)-3H-imidazo[4,5-c]pyridin-2-yl]methyl]-6-(2-methylpropyl)-2-oxo-3-pyridinyl]amino]-1,7-dioxohept-5-en-2-yl]carbamic acid?

The InChIKey is GWQRZOJPJLCGBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H40FN7O5/c1-17(2)13-19-11-12-22(33-28(40)21(34-30(42)43)9-7-8-10-25(39)37(5)6)29(41)38(19)16-24-35-26-20(31)15-32-23(14-18(3)4)27(26)36-24/h8,10-12,15,17-18,21,34H,7,9,13-14,16H2,1-6H3,(H,33,40)(H,35,36)(H,42,43).

What are the key properties of [7-(dimethylamino)-1-[[1-[[7-fluoro-4-(2-methylpropyl)-3H-imidazo[4,5-c]pyridin-2-yl]methyl]-6-(2-methylpropyl)-2-oxo-3-pyridinyl]amino]-1,7-dioxohept-5-en-2-yl]carbamic acid?

[7-(dimethylamino)-1-[[1-[[7-fluoro-4-(2-methylpropyl)-3H-imidazo[4,5-c]pyridin-2-yl]methyl]-6-(2-methylpropyl)-2-oxo-3-pyridinyl]amino]-1,7-dioxohept-5-en-2-yl]carbamic acid has a molecular weight of 597.69 g/mol, XLogP of 3.70, 13 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [7-(dimethylamino)-1-[[1-[[7-fluoro-4-(2-methylpropyl)-3H-imidazo[4,5-c]pyridin-2-yl]methyl]-6-(2-methylpropyl)-2-oxo-3-pyridinyl]amino]-1,7-dioxohept-5-en-2-yl]carbamic acid is sourced from PubChem (CID 146348896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).