2-anilino-6-bromo-8-[(2-methylpropan-2-yl)oxy]pyrido[2,3-d]pyrimidin-7-one;2-anilino-6-(2-chlorophenyl)-8-[(2-methylpropan-2-yl)oxy]pyrido[2,3-d]pyrimidin-7-one;(2-chlorophenyl)-oxoborane

C46H42BBrCl2N8O5 — CID 158255414

About 2-anilino-6-bromo-8-[(2-methylpropan-2-yl)oxy]pyrido[2,3-d]pyrimidin-7-one;2-anilino-6-(2-chlorophenyl)-8-[(2-methylpropan-2-yl)oxy]pyrido[2,3-d]pyrimidin-7-one;(2-chlorophenyl)-oxoborane

2-anilino-6-bromo-8-[(2-methylpropan-2-yl)oxy]pyrido[2,3-d]pyrimidin-7-one;2-anilino-6-(2-chlorophenyl)-8-[(2-methylpropan-2-yl)oxy]pyrido[2,3-d]pyrimidin-7-one;(2-chlorophenyl)-oxoborane (PubChem CID 158255414) has the molecular formula C46H42BBrCl2N8O5 and a molecular weight of 948.51 g/mol. Its IUPAC name is 2-anilino-6-bromo-8-[(2-methylpropan-2-yl)oxy]pyrido[2,3-d]pyrimidin-7-one;2-anilino-6-(2-chlorophenyl)-8-[(2-methylpropan-2-yl)oxy]pyrido[2,3-d]pyrimidin-7-one;(2-chlorophenyl)-oxoborane.

Molecular Properties

• Compound Name: 2-anilino-6-bromo-8-[(2-methylpropan-2-yl)oxy]pyrido[2,3-d]pyrimidin-7-one;2-anilino-6-(2-chlorophenyl)-8-[(2-methylpropan-2-yl)oxy]pyrido[2,3-d]pyrimidin-7-one;(2-chlorophenyl)-oxoborane
• PubChem CID: 158255414
• Molecular Formula: C46H42BBrCl2N8O5
• Molecular Weight: 948.51 g/mol
• Exact Mass: 946.19
• IUPAC Name: 2-anilino-6-bromo-8-[(2-methylpropan-2-yl)oxy]pyrido[2,3-d]pyrimidin-7-one;2-anilino-6-(2-chlorophenyl)-8-[(2-methylpropan-2-yl)oxy]pyrido[2,3-d]pyrimidin-7-one;(2-chlorophenyl)-oxoborane
• SMILES: CC(C)(C)On1c(=O)c(-c2ccccc2Cl)cc2cnc(Nc3ccccc3)nc21.CC(C)(C)On1c(=O)c(Br)cc2cnc(Nc3ccccc3)nc21.O=Bc1ccccc1Cl
• InChI: InChI=1S/C23H21ClN4O2.C17H17BrN4O2.C6H4BClO/c1-23(2,3)30-28-20-15(13-18(21(28)29)17-11-7-8-12-19(17)24)14-25-22(27-20)26-16-9-5-4-6-10-16;1-17(2,3)24-22-14-11(9-13(18)15(22)23)10-19-16(21-14)20-12-7-5-4-6-8-12;8-6-4-2-1-3-5(6)7-9/h4-14H,1-3H3,(H,25,26,27);4-10H,1-3H3,(H,19,20,21);1-4H
• InChIKey: GHFMARKCDNIVAV-UHFFFAOYSA-N
• XLogP: 9.62
• TPSA: 155.15 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 13
• Rotatable Bonds: 8
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	948.51
LogP ≤ 5	9.62
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-anilino-6-bromo-8-[(2-methylpropan-2-yl)oxy]pyrido[2,3-d]pyrimidin-7-one;2-anilino-6-(2-chlorophenyl)-8-[(2-methylpropan-2-yl)oxy]pyrido[2,3-d]pyrimidin-7-one;(2-chlorophenyl)-oxoborane?

The IUPAC name of 2-anilino-6-bromo-8-[(2-methylpropan-2-yl)oxy]pyrido[2,3-d]pyrimidin-7-one;2-anilino-6-(2-chlorophenyl)-8-[(2-methylpropan-2-yl)oxy]pyrido[2,3-d]pyrimidin-7-one;(2-chlorophenyl)-oxoborane (CID 158255414) is 2-anilino-6-bromo-8-[(2-methylpropan-2-yl)oxy]pyrido[2,3-d]pyrimidin-7-one;2-anilino-6-(2-chlorophenyl)-8-[(2-methylpropan-2-yl)oxy]pyrido[2,3-d]pyrimidin-7-one;(2-chlorophenyl)-oxoborane.

What is the SMILES notation for 2-anilino-6-bromo-8-[(2-methylpropan-2-yl)oxy]pyrido[2,3-d]pyrimidin-7-one;2-anilino-6-(2-chlorophenyl)-8-[(2-methylpropan-2-yl)oxy]pyrido[2,3-d]pyrimidin-7-one;(2-chlorophenyl)-oxoborane?

The canonical SMILES for 2-anilino-6-bromo-8-[(2-methylpropan-2-yl)oxy]pyrido[2,3-d]pyrimidin-7-one;2-anilino-6-(2-chlorophenyl)-8-[(2-methylpropan-2-yl)oxy]pyrido[2,3-d]pyrimidin-7-one;(2-chlorophenyl)-oxoborane is CC(C)(C)On1c(=O)c(-c2ccccc2Cl)cc2cnc(Nc3ccccc3)nc21.CC(C)(C)On1c(=O)c(Br)cc2cnc(Nc3ccccc3)nc21.O=Bc1ccccc1Cl.

What is the InChIKey of 2-anilino-6-bromo-8-[(2-methylpropan-2-yl)oxy]pyrido[2,3-d]pyrimidin-7-one;2-anilino-6-(2-chlorophenyl)-8-[(2-methylpropan-2-yl)oxy]pyrido[2,3-d]pyrimidin-7-one;(2-chlorophenyl)-oxoborane?

The InChIKey is GHFMARKCDNIVAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN4O2.C17H17BrN4O2.C6H4BClO/c1-23(2,3)30-28-20-15(13-18(21(28)29)17-11-7-8-12-19(17)24)14-25-22(27-20)26-16-9-5-4-6-10-16;1-17(2,3)24-22-14-11(9-13(18)15(22)23)10-19-16(21-14)20-12-7-5-4-6-8-12;8-6-4-2-1-3-5(6)7-9/h4-14H,1-3H3,(H,25,26,27);4-10H,1-3H3,(H,19,20,21);1-4H.

What are the key properties of 2-anilino-6-bromo-8-[(2-methylpropan-2-yl)oxy]pyrido[2,3-d]pyrimidin-7-one;2-anilino-6-(2-chlorophenyl)-8-[(2-methylpropan-2-yl)oxy]pyrido[2,3-d]pyrimidin-7-one;(2-chlorophenyl)-oxoborane?

2-anilino-6-bromo-8-[(2-methylpropan-2-yl)oxy]pyrido[2,3-d]pyrimidin-7-one;2-anilino-6-(2-chlorophenyl)-8-[(2-methylpropan-2-yl)oxy]pyrido[2,3-d]pyrimidin-7-one;(2-chlorophenyl)-oxoborane has a molecular weight of 948.51 g/mol, XLogP of 9.62, 8 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 2-anilino-6-bromo-8-[(2-methylpropan-2-yl)oxy]pyrido[2,3-d]pyrimidin-7-one;2-anilino-6-(2-chlorophenyl)-8-[(2-methylpropan-2-yl)oxy]pyrido[2,3-d]pyrimidin-7-one;(2-chlorophenyl)-oxoborane is sourced from PubChem (CID 158255414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).