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

C26H31N7O5 — CID 146347719

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

[7-(dimethylamino)-1-[[1-[[4-(2-methylprop-1-enyl)-1H-imidazo[4,5-c]pyridin-2-yl]methyl]-2-oxo-3-pyridinyl]amino]-1,7-dioxohept-5-en-2-yl]carbamic acid (PubChem CID 146347719) has the molecular formula C26H31N7O5 and a molecular weight of 521.58 g/mol. Its IUPAC name is [7-(dimethylamino)-1-[[1-[[4-(2-methylprop-1-enyl)-1H-imidazo[4,5-c]pyridin-2-yl]methyl]-2-oxo-3-pyridinyl]amino]-1,7-dioxohept-5-en-2-yl]carbamic acid.

Molecular Properties

• Compound Name: [7-(dimethylamino)-1-[[1-[[4-(2-methylprop-1-enyl)-1H-imidazo[4,5-c]pyridin-2-yl]methyl]-2-oxo-3-pyridinyl]amino]-1,7-dioxohept-5-en-2-yl]carbamic acid
• PubChem CID: 146347719
• Molecular Formula: C26H31N7O5
• Molecular Weight: 521.58 g/mol
• Exact Mass: 521.24
• IUPAC Name: [7-(dimethylamino)-1-[[1-[[4-(2-methylprop-1-enyl)-1H-imidazo[4,5-c]pyridin-2-yl]methyl]-2-oxo-3-pyridinyl]amino]-1,7-dioxohept-5-en-2-yl]carbamic acid
• SMILES: CC(C)=Cc1nccc2[nH]c(Cn3cccc(NC(=O)C(CCC=CC(=O)N(C)C)NC(=O)O)c3=O)nc12
• InChI: InChI=1S/C26H31N7O5/c1-16(2)14-20-23-17(11-12-27-20)28-21(31-23)15-33-13-7-9-19(25(33)36)29-24(35)18(30-26(37)38)8-5-6-10-22(34)32(3)4/h6-7,9-14,18,30H,5,8,15H2,1-4H3,(H,28,31)(H,29,35)(H,37,38)
• InChIKey: BSAJNXVNSDYBAS-UHFFFAOYSA-N
• XLogP: 2.59
• TPSA: 162.31 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	521.58
LogP ≤ 5	2.59
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-[[4-(2-methylprop-1-enyl)-1H-imidazo[4,5-c]pyridin-2-yl]methyl]-2-oxo-3-pyridinyl]amino]-1,7-dioxohept-5-en-2-yl]carbamic acid?

The IUPAC name of [7-(dimethylamino)-1-[[1-[[4-(2-methylprop-1-enyl)-1H-imidazo[4,5-c]pyridin-2-yl]methyl]-2-oxo-3-pyridinyl]amino]-1,7-dioxohept-5-en-2-yl]carbamic acid (CID 146347719) is [7-(dimethylamino)-1-[[1-[[4-(2-methylprop-1-enyl)-1H-imidazo[4,5-c]pyridin-2-yl]methyl]-2-oxo-3-pyridinyl]amino]-1,7-dioxohept-5-en-2-yl]carbamic acid.

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

The canonical SMILES for [7-(dimethylamino)-1-[[1-[[4-(2-methylprop-1-enyl)-1H-imidazo[4,5-c]pyridin-2-yl]methyl]-2-oxo-3-pyridinyl]amino]-1,7-dioxohept-5-en-2-yl]carbamic acid is CC(C)=Cc1nccc2[nH]c(Cn3cccc(NC(=O)C(CCC=CC(=O)N(C)C)NC(=O)O)c3=O)nc12.

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

The InChIKey is BSAJNXVNSDYBAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N7O5/c1-16(2)14-20-23-17(11-12-27-20)28-21(31-23)15-33-13-7-9-19(25(33)36)29-24(35)18(30-26(37)38)8-5-6-10-22(34)32(3)4/h6-7,9-14,18,30H,5,8,15H2,1-4H3,(H,28,31)(H,29,35)(H,37,38).

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

[7-(dimethylamino)-1-[[1-[[4-(2-methylprop-1-enyl)-1H-imidazo[4,5-c]pyridin-2-yl]methyl]-2-oxo-3-pyridinyl]amino]-1,7-dioxohept-5-en-2-yl]carbamic acid has a molecular weight of 521.58 g/mol, XLogP of 2.59, 10 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [7-(dimethylamino)-1-[[1-[[4-(2-methylprop-1-enyl)-1H-imidazo[4,5-c]pyridin-2-yl]methyl]-2-oxo-3-pyridinyl]amino]-1,7-dioxohept-5-en-2-yl]carbamic acid is sourced from PubChem (CID 146347719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).