(2-chloroacetyl) 2-chloroacetate;N-[5-[5-(chloromethyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide;N-[5-[(Z)-N'-hydroxycarbamimidoyl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide

C38H33Cl3N10O7 — CID 172975026

About (2-chloroacetyl) 2-chloroacetate;N-[5-[5-(chloromethyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide;N-[5-[(Z)-N'-hydroxycarbamimidoyl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide

(2-chloroacetyl) 2-chloroacetate;N-[5-[5-(chloromethyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide;N-[5-[(Z)-N'-hydroxycarbamimidoyl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 172975026) has the molecular formula C38H33Cl3N10O7 and a molecular weight of 848.10 g/mol. Its IUPAC name is (2-chloroacetyl) 2-chloroacetate;N-[5-[5-(chloromethyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide;N-[5-[(Z)-N'-hydroxycarbamimidoyl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: (2-chloroacetyl) 2-chloroacetate;N-[5-[5-(chloromethyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide;N-[5-[(Z)-N'-hydroxycarbamimidoyl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide
• PubChem CID: 172975026
• Molecular Formula: C38H33Cl3N10O7
• Molecular Weight: 848.10 g/mol
• Exact Mass: 846.16
• IUPAC Name: (2-chloroacetyl) 2-chloroacetate;N-[5-[5-(chloromethyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide;N-[5-[(Z)-N'-hydroxycarbamimidoyl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide
• SMILES: Cc1ccc(-c2noc(CCl)n2)cc1NC(=O)c1cnc2ccccn12.Cc1ccc(/C(N)=N/O)cc1NC(=O)c1cnc2ccccn12.O=C(CCl)OC(=O)CCl
• InChI: InChI=1S/C18H14ClN5O2.C16H15N5O2.C4H4Cl2O3/c1-11-5-6-12(17-22-16(9-19)26-23-17)8-13(11)21-18(25)14-10-20-15-4-2-3-7-24(14)15;1-10-5-6-11(15(17)20-23)8-12(10)19-16(22)13-9-18-14-4-2-3-7-21(13)14;5-1-3(7)9-4(8)2-6/h2-8,10H,9H2,1H3,(H,21,25);2-9,23H,1H3,(H2,17,20)(H,19,22);1-2H2
• InChIKey: VFDKWRLEQJFYTL-UHFFFAOYSA-N
• XLogP: 6.21
• TPSA: 233.70 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 14
• Rotatable Bonds: 9
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	848.10
LogP ≤ 5	6.21
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2-chloroacetyl) 2-chloroacetate;N-[5-[5-(chloromethyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide;N-[5-[(Z)-N'-hydroxycarbamimidoyl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide?

The IUPAC name of (2-chloroacetyl) 2-chloroacetate;N-[5-[5-(chloromethyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide;N-[5-[(Z)-N'-hydroxycarbamimidoyl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide (CID 172975026) is (2-chloroacetyl) 2-chloroacetate;N-[5-[5-(chloromethyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide;N-[5-[(Z)-N'-hydroxycarbamimidoyl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide.

What is the SMILES notation for (2-chloroacetyl) 2-chloroacetate;N-[5-[5-(chloromethyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide;N-[5-[(Z)-N'-hydroxycarbamimidoyl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide?

The canonical SMILES for (2-chloroacetyl) 2-chloroacetate;N-[5-[5-(chloromethyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide;N-[5-[(Z)-N'-hydroxycarbamimidoyl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide is Cc1ccc(-c2noc(CCl)n2)cc1NC(=O)c1cnc2ccccn12.Cc1ccc(/C(N)=N/O)cc1NC(=O)c1cnc2ccccn12.O=C(CCl)OC(=O)CCl.

What is the InChIKey of (2-chloroacetyl) 2-chloroacetate;N-[5-[5-(chloromethyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide;N-[5-[(Z)-N'-hydroxycarbamimidoyl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide?

The InChIKey is VFDKWRLEQJFYTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN5O2.C16H15N5O2.C4H4Cl2O3/c1-11-5-6-12(17-22-16(9-19)26-23-17)8-13(11)21-18(25)14-10-20-15-4-2-3-7-24(14)15;1-10-5-6-11(15(17)20-23)8-12(10)19-16(22)13-9-18-14-4-2-3-7-21(13)14;5-1-3(7)9-4(8)2-6/h2-8,10H,9H2,1H3,(H,21,25);2-9,23H,1H3,(H2,17,20)(H,19,22);1-2H2.

What are the key properties of (2-chloroacetyl) 2-chloroacetate;N-[5-[5-(chloromethyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide;N-[5-[(Z)-N'-hydroxycarbamimidoyl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide?

(2-chloroacetyl) 2-chloroacetate;N-[5-[5-(chloromethyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide;N-[5-[(Z)-N'-hydroxycarbamimidoyl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 848.10 g/mol, XLogP of 6.21, 9 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for (2-chloroacetyl) 2-chloroacetate;N-[5-[5-(chloromethyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide;N-[5-[(Z)-N'-hydroxycarbamimidoyl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 172975026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).