[6-(2-bromophenyl)-2-(4-fluoroanilino)pyrido[2,3-d]pyrimidin-7-yl] N-(2-morpholin-4-ylethyl)carbamate

C26H24BrFN6O3 — CID 69033843

About [6-(2-bromophenyl)-2-(4-fluoroanilino)pyrido[2,3-d]pyrimidin-7-yl] N-(2-morpholin-4-ylethyl)carbamate

[6-(2-bromophenyl)-2-(4-fluoroanilino)pyrido[2,3-d]pyrimidin-7-yl] N-(2-morpholin-4-ylethyl)carbamate (PubChem CID 69033843) has the molecular formula C26H24BrFN6O3 and a molecular weight of 567.42 g/mol. Its IUPAC name is [6-(2-bromophenyl)-2-(4-fluoroanilino)pyrido[2,3-d]pyrimidin-7-yl] N-(2-morpholin-4-ylethyl)carbamate.

Molecular Properties

• Compound Name: [6-(2-bromophenyl)-2-(4-fluoroanilino)pyrido[2,3-d]pyrimidin-7-yl] N-(2-morpholin-4-ylethyl)carbamate
• PubChem CID: 69033843
• Molecular Formula: C26H24BrFN6O3
• Molecular Weight: 567.42 g/mol
• Exact Mass: 566.11
• IUPAC Name: [6-(2-bromophenyl)-2-(4-fluoroanilino)pyrido[2,3-d]pyrimidin-7-yl] N-(2-morpholin-4-ylethyl)carbamate
• SMILES: O=C(NCCN1CCOCC1)Oc1nc2nc(Nc3ccc(F)cc3)ncc2cc1-c1ccccc1Br
• InChI: InChI=1S/C26H24BrFN6O3/c27-22-4-2-1-3-20(22)21-15-17-16-30-25(31-19-7-5-18(28)6-8-19)33-23(17)32-24(21)37-26(35)29-9-10-34-11-13-36-14-12-34/h1-8,15-16H,9-14H2,(H,29,35)(H,30,31,32,33)
• InChIKey: KAFZCXYEGIAYGZ-UHFFFAOYSA-N
• XLogP: 4.76
• TPSA: 101.50 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	567.42
LogP ≤ 5	4.76
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of [6-(2-bromophenyl)-2-(4-fluoroanilino)pyrido[2,3-d]pyrimidin-7-yl] N-(2-morpholin-4-ylethyl)carbamate?

The IUPAC name of [6-(2-bromophenyl)-2-(4-fluoroanilino)pyrido[2,3-d]pyrimidin-7-yl] N-(2-morpholin-4-ylethyl)carbamate (CID 69033843) is [6-(2-bromophenyl)-2-(4-fluoroanilino)pyrido[2,3-d]pyrimidin-7-yl] N-(2-morpholin-4-ylethyl)carbamate.

What is the SMILES notation for [6-(2-bromophenyl)-2-(4-fluoroanilino)pyrido[2,3-d]pyrimidin-7-yl] N-(2-morpholin-4-ylethyl)carbamate?

The canonical SMILES for [6-(2-bromophenyl)-2-(4-fluoroanilino)pyrido[2,3-d]pyrimidin-7-yl] N-(2-morpholin-4-ylethyl)carbamate is O=C(NCCN1CCOCC1)Oc1nc2nc(Nc3ccc(F)cc3)ncc2cc1-c1ccccc1Br.

What is the InChIKey of [6-(2-bromophenyl)-2-(4-fluoroanilino)pyrido[2,3-d]pyrimidin-7-yl] N-(2-morpholin-4-ylethyl)carbamate?

The InChIKey is KAFZCXYEGIAYGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24BrFN6O3/c27-22-4-2-1-3-20(22)21-15-17-16-30-25(31-19-7-5-18(28)6-8-19)33-23(17)32-24(21)37-26(35)29-9-10-34-11-13-36-14-12-34/h1-8,15-16H,9-14H2,(H,29,35)(H,30,31,32,33).

What are the key properties of [6-(2-bromophenyl)-2-(4-fluoroanilino)pyrido[2,3-d]pyrimidin-7-yl] N-(2-morpholin-4-ylethyl)carbamate?

[6-(2-bromophenyl)-2-(4-fluoroanilino)pyrido[2,3-d]pyrimidin-7-yl] N-(2-morpholin-4-ylethyl)carbamate has a molecular weight of 567.42 g/mol, XLogP of 4.76, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [6-(2-bromophenyl)-2-(4-fluoroanilino)pyrido[2,3-d]pyrimidin-7-yl] N-(2-morpholin-4-ylethyl)carbamate is sourced from PubChem (CID 69033843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).