Tert-butyl N-[[3-amino-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-7-yl]methyl]carbamate;tert-butyl N-[[6-(2,4-dichlorophenyl)-3-(oxane-4-carbonylamino)imidazo[1,2-a]pyridin-7-yl]methyl]carbamate;6-(2,4-dichlorophenyl)-7-isocyanoimidazo[1,2-a]pyridin-3-amine;6-(2,4-dichlorophenyl)-7-isocyanoimidazo[1,2-a]pyridine;oxane-4-carboxylic acid

C₇₈H₇₃Cl₈N₁₅O₉ — CID 157325695

About Tert-butyl N-[[3-amino-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-7-yl]methyl]carbamate;tert-butyl N-[[6-(2,4-dichlorophenyl)-3-(oxane-4-carbonylamino)imidazo[1,2-a]pyridin-7-yl]methyl]carbamate;6-(2,4-dichlorophenyl)-7-isocyanoimidazo[1,2-a]pyridin-3-amine;6-(2,4-dichlorophenyl)-7-isocyanoimidazo[1,2-a]pyridine;oxane-4-carboxylic acid

Tert-butyl N-[[3-amino-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-7-yl]methyl]carbamate;tert-butyl N-[[6-(2,4-dichlorophenyl)-3-(oxane-4-carbonylamino)imidazo[1,2-a]pyridin-7-yl]methyl]carbamate;6-(2,4-dichlorophenyl)-7-isocyanoimidazo[1,2-a]pyridin-3-amine;6-(2,4-dichlorophenyl)-7-isocyanoimidazo[1,2-a]pyridine;oxane-4-carboxylic acid (PubChem CID 157325695) has the molecular formula C₇₈H₇₃Cl₈N₁₅O₉ and a molecular weight of 1648.16 g/mol. Its IUPAC name is tert-butyl N-[[3-amino-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-7-yl]methyl]carbamate;tert-butyl N-[[6-(2,4-dichlorophenyl)-3-(oxane-4-carbonylamino)imidazo[1,2-a]pyridin-7-yl]methyl]carbamate;6-(2,4-dichlorophenyl)-7-isocyanoimidazo[1,2-a]pyridin-3-amine;6-(2,4-dichlorophenyl)-7-isocyanoimidazo[1,2-a]pyridine;oxane-4-carboxylic acid.

Molecular Properties

• Compound Name: Tert-butyl N-[[3-amino-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-7-yl]methyl]carbamate;tert-butyl N-[[6-(2,4-dichlorophenyl)-3-(oxane-4-carbonylamino)imidazo[1,2-a]pyridin-7-yl]methyl]carbamate;6-(2,4-dichlorophenyl)-7-isocyanoimidazo[1,2-a]pyridin-3-amine;6-(2,4-dichlorophenyl)-7-isocyanoimidazo[1,2-a]pyridine;oxane-4-carboxylic acid
• PubChem CID: 157325695
• Molecular Formula: C₇₈H₇₃Cl₈N₁₅O₉
• Molecular Weight: 1648.16 g/mol
• Exact Mass: 1643.32
• IUPAC Name: tert-butyl N-[[3-amino-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-7-yl]methyl]carbamate;tert-butyl N-[[6-(2,4-dichlorophenyl)-3-(oxane-4-carbonylamino)imidazo[1,2-a]pyridin-7-yl]methyl]carbamate;6-(2,4-dichlorophenyl)-7-isocyanoimidazo[1,2-a]pyridin-3-amine;6-(2,4-dichlorophenyl)-7-isocyanoimidazo[1,2-a]pyridine;oxane-4-carboxylic acid
• SMILES: CC(C)(C)OC(=O)NCc1cc2ncc(N)n2cc1-c1ccc(Cl)cc1Cl.CC(C)(C)OC(=O)NCc1cc2ncc(NC(=O)C3CCOCC3)n2cc1-c1ccc(Cl)cc1Cl.O=C(O)C1CCOCC1.[C-]#[N+]c1cc2ncc(N)n2cc1-c1ccc(Cl)cc1Cl.[C-]#[N+]c1cc2nccn2cc1-c1ccc(Cl)cc1Cl
• InChI: InChI=1S/C25H28Cl2N4O4.C19H20Cl2N4O2.C14H8Cl2N4.C14H7Cl2N3.C6H10O3/c1-25(2,3)35-24(33)29-12-16-10-21-28-13-22(30-23(32)15-6-8-34-9-7-15)31(21)14-19(16)18-5-4-17(26)11-20(18)27;1-19(2,3)27-18(26)24-8-11-6-17-23-9-16(22)25(17)10-14(11)13-5-4-12(20)7-15(13)21;1-18-12-5-14-19-6-13(17)20(14)7-10(12)9-3-2-8(15)4-11(9)16;1-17-13-7-14-18-4-5-19(14)8-11(13)10-3-2-9(15)6-12(10)16;7-6(8)5-1-3-9-4-2-5/h4-5,10-11,13-15H,6-9,12H2,1-3H3,(H,29,33)(H,30,32);4-7,9-10H,8,22H2,1-3H3,(H,24,26);2-7H,17H2;2-8H;5H,1-4H2,(H,7,8)
• InChIKey: BERPUKPGLBSIPU-UHFFFAOYSA-N
• XLogP: 20.41
• TPSA: 291.48 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 18
• Rotatable Bonds: 11
• Heavy Atoms: 110
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1648.16
LogP ≤ 5	20.41
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of Tert-butyl N-[[3-amino-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-7-yl]methyl]carbamate;tert-butyl N-[[6-(2,4-dichlorophenyl)-3-(oxane-4-carbonylamino)imidazo[1,2-a]pyridin-7-yl]methyl]carbamate;6-(2,4-dichlorophenyl)-7-isocyanoimidazo[1,2-a]pyridin-3-amine;6-(2,4-dichlorophenyl)-7-isocyanoimidazo[1,2-a]pyridine;oxane-4-carboxylic acid?

The IUPAC name of Tert-butyl N-[[3-amino-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-7-yl]methyl]carbamate;tert-butyl N-[[6-(2,4-dichlorophenyl)-3-(oxane-4-carbonylamino)imidazo[1,2-a]pyridin-7-yl]methyl]carbamate;6-(2,4-dichlorophenyl)-7-isocyanoimidazo[1,2-a]pyridin-3-amine;6-(2,4-dichlorophenyl)-7-isocyanoimidazo[1,2-a]pyridine;oxane-4-carboxylic acid (CID 157325695) is tert-butyl N-[[3-amino-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-7-yl]methyl]carbamate;tert-butyl N-[[6-(2,4-dichlorophenyl)-3-(oxane-4-carbonylamino)imidazo[1,2-a]pyridin-7-yl]methyl]carbamate;6-(2,4-dichlorophenyl)-7-isocyanoimidazo[1,2-a]pyridin-3-amine;6-(2,4-dichlorophenyl)-7-isocyanoimidazo[1,2-a]pyridine;oxane-4-carboxylic acid.

What is the SMILES notation for Tert-butyl N-[[3-amino-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-7-yl]methyl]carbamate;tert-butyl N-[[6-(2,4-dichlorophenyl)-3-(oxane-4-carbonylamino)imidazo[1,2-a]pyridin-7-yl]methyl]carbamate;6-(2,4-dichlorophenyl)-7-isocyanoimidazo[1,2-a]pyridin-3-amine;6-(2,4-dichlorophenyl)-7-isocyanoimidazo[1,2-a]pyridine;oxane-4-carboxylic acid?

The canonical SMILES for Tert-butyl N-[[3-amino-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-7-yl]methyl]carbamate;tert-butyl N-[[6-(2,4-dichlorophenyl)-3-(oxane-4-carbonylamino)imidazo[1,2-a]pyridin-7-yl]methyl]carbamate;6-(2,4-dichlorophenyl)-7-isocyanoimidazo[1,2-a]pyridin-3-amine;6-(2,4-dichlorophenyl)-7-isocyanoimidazo[1,2-a]pyridine;oxane-4-carboxylic acid is CC(C)(C)OC(=O)NCc1cc2ncc(N)n2cc1-c1ccc(Cl)cc1Cl.CC(C)(C)OC(=O)NCc1cc2ncc(NC(=O)C3CCOCC3)n2cc1-c1ccc(Cl)cc1Cl.O=C(O)C1CCOCC1.[C-]#[N+]c1cc2ncc(N)n2cc1-c1ccc(Cl)cc1Cl.[C-]#[N+]c1cc2nccn2cc1-c1ccc(Cl)cc1Cl.

What is the InChIKey of Tert-butyl N-[[3-amino-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-7-yl]methyl]carbamate;tert-butyl N-[[6-(2,4-dichlorophenyl)-3-(oxane-4-carbonylamino)imidazo[1,2-a]pyridin-7-yl]methyl]carbamate;6-(2,4-dichlorophenyl)-7-isocyanoimidazo[1,2-a]pyridin-3-amine;6-(2,4-dichlorophenyl)-7-isocyanoimidazo[1,2-a]pyridine;oxane-4-carboxylic acid?

The InChIKey is BERPUKPGLBSIPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28Cl2N4O4.C19H20Cl2N4O2.C14H8Cl2N4.C14H7Cl2N3.C6H10O3/c1-25(2,3)35-24(33)29-12-16-10-21-28-13-22(30-23(32)15-6-8-34-9-7-15)31(21)14-19(16)18-5-4-17(26)11-20(18)27;1-19(2,3)27-18(26)24-8-11-6-17-23-9-16(22)25(17)10-14(11)13-5-4-12(20)7-15(13)21;1-18-12-5-14-19-6-13(17)20(14)7-10(12)9-3-2-8(15)4-11(9)16;1-17-13-7-14-18-4-5-19(14)8-11(13)10-3-2-9(15)6-12(10)16;7-6(8)5-1-3-9-4-2-5/h4-5,10-11,13-15H,6-9,12H2,1-3H3,(H,29,33)(H,30,32);4-7,9-10H,8,22H2,1-3H3,(H,24,26);2-7H,17H2;2-8H;5H,1-4H2,(H,7,8).

What are the key properties of Tert-butyl N-[[3-amino-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-7-yl]methyl]carbamate;tert-butyl N-[[6-(2,4-dichlorophenyl)-3-(oxane-4-carbonylamino)imidazo[1,2-a]pyridin-7-yl]methyl]carbamate;6-(2,4-dichlorophenyl)-7-isocyanoimidazo[1,2-a]pyridin-3-amine;6-(2,4-dichlorophenyl)-7-isocyanoimidazo[1,2-a]pyridine;oxane-4-carboxylic acid?

Tert-butyl N-[[3-amino-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-7-yl]methyl]carbamate;tert-butyl N-[[6-(2,4-dichlorophenyl)-3-(oxane-4-carbonylamino)imidazo[1,2-a]pyridin-7-yl]methyl]carbamate;6-(2,4-dichlorophenyl)-7-isocyanoimidazo[1,2-a]pyridin-3-amine;6-(2,4-dichlorophenyl)-7-isocyanoimidazo[1,2-a]pyridine;oxane-4-carboxylic acid has a molecular weight of 1648.16 g/mol, XLogP of 20.41, 11 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for Tert-butyl N-[[3-amino-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-7-yl]methyl]carbamate;tert-butyl N-[[6-(2,4-dichlorophenyl)-3-(oxane-4-carbonylamino)imidazo[1,2-a]pyridin-7-yl]methyl]carbamate;6-(2,4-dichlorophenyl)-7-isocyanoimidazo[1,2-a]pyridin-3-amine;6-(2,4-dichlorophenyl)-7-isocyanoimidazo[1,2-a]pyridine;oxane-4-carboxylic acid is sourced from PubChem (CID 157325695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 157325695 — identifiers, structure, computed properties (public domain)

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