benzyl(methyl)azanide;[7-[[2-(3-methylpiperidin-1-yl)-2-oxoacetyl]amino]-1H-pyrazolo[4,5-c]pyridin-4-yl]azanide;vanadium(2+)

C22H27N7O2V — CID 169113599

About benzyl(methyl)azanide;[7-[[2-(3-methylpiperidin-1-yl)-2-oxoacetyl]amino]-1H-pyrazolo[4,5-c]pyridin-4-yl]azanide;vanadium(2+)

benzyl(methyl)azanide;[7-[[2-(3-methylpiperidin-1-yl)-2-oxoacetyl]amino]-1H-pyrazolo[4,5-c]pyridin-4-yl]azanide;vanadium(2+) (PubChem CID 169113599) has the molecular formula C22H27N7O2V and a molecular weight of 472.45 g/mol. Its IUPAC name is benzyl(methyl)azanide;[7-[[2-(3-methylpiperidin-1-yl)-2-oxoacetyl]amino]-1H-pyrazolo[4,5-c]pyridin-4-yl]azanide;vanadium(2+).

Molecular Properties

• Compound Name: benzyl(methyl)azanide;[7-[[2-(3-methylpiperidin-1-yl)-2-oxoacetyl]amino]-1H-pyrazolo[4,5-c]pyridin-4-yl]azanide;vanadium(2+)
• PubChem CID: 169113599
• Molecular Formula: C22H27N7O2V
• Molecular Weight: 472.45 g/mol
• Exact Mass: 472.17
• IUPAC Name: benzyl(methyl)azanide;[7-[[2-(3-methylpiperidin-1-yl)-2-oxoacetyl]amino]-1H-pyrazolo[4,5-c]pyridin-4-yl]azanide;vanadium(2+)
• SMILES: CC1CCCN(C(=O)C(=O)Nc2cnc([NH-])c3cn[nH]c23)C1.C[N-]Cc1ccccc1.[V+2]
• InChI: InChI=1S/C14H18N6O2.C8H10N.V/c1-8-3-2-4-20(7-8)14(22)13(21)18-10-6-16-12(15)9-5-17-19-11(9)10;1-9-7-8-5-3-2-4-6-8;/h5-6,8H,2-4,7H2,1H3,(H4,15,16,17,18,19,21,22);2-6H,7H2,1H3;/q;-1;+2/p-1
• InChIKey: DKIVGPOWBOFBGY-UHFFFAOYSA-M
• XLogP: 4.03
• TPSA: 128.88 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	472.45
LogP ≤ 5	4.03
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of benzyl(methyl)azanide;[7-[[2-(3-methylpiperidin-1-yl)-2-oxoacetyl]amino]-1H-pyrazolo[4,5-c]pyridin-4-yl]azanide;vanadium(2+)?

The IUPAC name of benzyl(methyl)azanide;[7-[[2-(3-methylpiperidin-1-yl)-2-oxoacetyl]amino]-1H-pyrazolo[4,5-c]pyridin-4-yl]azanide;vanadium(2+) (CID 169113599) is benzyl(methyl)azanide;[7-[[2-(3-methylpiperidin-1-yl)-2-oxoacetyl]amino]-1H-pyrazolo[4,5-c]pyridin-4-yl]azanide;vanadium(2+).

What is the SMILES notation for benzyl(methyl)azanide;[7-[[2-(3-methylpiperidin-1-yl)-2-oxoacetyl]amino]-1H-pyrazolo[4,5-c]pyridin-4-yl]azanide;vanadium(2+)?

The canonical SMILES for benzyl(methyl)azanide;[7-[[2-(3-methylpiperidin-1-yl)-2-oxoacetyl]amino]-1H-pyrazolo[4,5-c]pyridin-4-yl]azanide;vanadium(2+) is CC1CCCN(C(=O)C(=O)Nc2cnc([NH-])c3cn[nH]c23)C1.C[N-]Cc1ccccc1.[V+2].

What is the InChIKey of benzyl(methyl)azanide;[7-[[2-(3-methylpiperidin-1-yl)-2-oxoacetyl]amino]-1H-pyrazolo[4,5-c]pyridin-4-yl]azanide;vanadium(2+)?

The InChIKey is DKIVGPOWBOFBGY-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H18N6O2.C8H10N.V/c1-8-3-2-4-20(7-8)14(22)13(21)18-10-6-16-12(15)9-5-17-19-11(9)10;1-9-7-8-5-3-2-4-6-8;/h5-6,8H,2-4,7H2,1H3,(H4,15,16,17,18,19,21,22);2-6H,7H2,1H3;/q;-1;+2/p-1.

What are the key properties of benzyl(methyl)azanide;[7-[[2-(3-methylpiperidin-1-yl)-2-oxoacetyl]amino]-1H-pyrazolo[4,5-c]pyridin-4-yl]azanide;vanadium(2+)?

benzyl(methyl)azanide;[7-[[2-(3-methylpiperidin-1-yl)-2-oxoacetyl]amino]-1H-pyrazolo[4,5-c]pyridin-4-yl]azanide;vanadium(2+) has a molecular weight of 472.45 g/mol, XLogP of 4.03, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for benzyl(methyl)azanide;[7-[[2-(3-methylpiperidin-1-yl)-2-oxoacetyl]amino]-1H-pyrazolo[4,5-c]pyridin-4-yl]azanide;vanadium(2+) is sourced from PubChem (CID 169113599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).