bis([4-[4-amino-2-(ethoxymethyl)-7-methylimidazo[4,5-c]pyridin-1-yl]butylamino]methanone);tungsten(2+)

C30H44N10O4W — CID 23525613

About bis([4-[4-amino-2-(ethoxymethyl)-7-methylimidazo[4,5-c]pyridin-1-yl]butylamino]methanone);tungsten(2+)

bis([4-[4-amino-2-(ethoxymethyl)-7-methylimidazo[4,5-c]pyridin-1-yl]butylamino]methanone);tungsten(2+) (PubChem CID 23525613) has the molecular formula C30H44N10O4W and a molecular weight of 792.59 g/mol. Its IUPAC name is bis([4-[4-amino-2-(ethoxymethyl)-7-methylimidazo[4,5-c]pyridin-1-yl]butylamino]methanone);tungsten(2+).

Molecular Properties

• Compound Name: bis([4-[4-amino-2-(ethoxymethyl)-7-methylimidazo[4,5-c]pyridin-1-yl]butylamino]methanone);tungsten(2+)
• PubChem CID: 23525613
• Molecular Formula: C30H44N10O4W
• Molecular Weight: 792.59 g/mol
• Exact Mass: 792.31
• IUPAC Name: bis([4-[4-amino-2-(ethoxymethyl)-7-methylimidazo[4,5-c]pyridin-1-yl]butylamino]methanone);tungsten(2+)
• SMILES: CCOCc1nc2c(N)ncc(C)c2n1CCCCN[C-]=O.CCOCc1nc2c(N)ncc(C)c2n1CCCCN[C-]=O.[W+2]
• InChI: InChI=1S/2C15H22N5O2.W/c2*1-3-22-9-12-19-13-14(11(2)8-18-15(13)16)20(12)7-5-4-6-17-10-21;/h2*8H,3-7,9H2,1-2H3,(H2,16,18)(H,17,21);/q2*-1;+2
• InChIKey: KQVLKKXABANTQA-UHFFFAOYSA-N
• XLogP: 2.59
• TPSA: 190.12 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 12
• Rotatable Bonds: 18
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	792.59
LogP ≤ 5	2.59
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis([4-[4-amino-2-(ethoxymethyl)-7-methylimidazo[4,5-c]pyridin-1-yl]butylamino]methanone);tungsten(2+)?

The IUPAC name of bis([4-[4-amino-2-(ethoxymethyl)-7-methylimidazo[4,5-c]pyridin-1-yl]butylamino]methanone);tungsten(2+) (CID 23525613) is bis([4-[4-amino-2-(ethoxymethyl)-7-methylimidazo[4,5-c]pyridin-1-yl]butylamino]methanone);tungsten(2+).

What is the SMILES notation for bis([4-[4-amino-2-(ethoxymethyl)-7-methylimidazo[4,5-c]pyridin-1-yl]butylamino]methanone);tungsten(2+)?

The canonical SMILES for bis([4-[4-amino-2-(ethoxymethyl)-7-methylimidazo[4,5-c]pyridin-1-yl]butylamino]methanone);tungsten(2+) is CCOCc1nc2c(N)ncc(C)c2n1CCCCN[C-]=O.CCOCc1nc2c(N)ncc(C)c2n1CCCCN[C-]=O.[W+2].

What is the InChIKey of bis([4-[4-amino-2-(ethoxymethyl)-7-methylimidazo[4,5-c]pyridin-1-yl]butylamino]methanone);tungsten(2+)?

The InChIKey is KQVLKKXABANTQA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C15H22N5O2.W/c2*1-3-22-9-12-19-13-14(11(2)8-18-15(13)16)20(12)7-5-4-6-17-10-21;/h2*8H,3-7,9H2,1-2H3,(H2,16,18)(H,17,21);/q2*-1;+2.

What are the key properties of bis([4-[4-amino-2-(ethoxymethyl)-7-methylimidazo[4,5-c]pyridin-1-yl]butylamino]methanone);tungsten(2+)?

bis([4-[4-amino-2-(ethoxymethyl)-7-methylimidazo[4,5-c]pyridin-1-yl]butylamino]methanone);tungsten(2+) has a molecular weight of 792.59 g/mol, XLogP of 2.59, 18 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for bis([4-[4-amino-2-(ethoxymethyl)-7-methylimidazo[4,5-c]pyridin-1-yl]butylamino]methanone);tungsten(2+) is sourced from PubChem (CID 23525613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).