[6-(2-bromophenyl)-2-(4-fluoroanilino)pyrido[2,3-d]pyrimidin-7-yl] N-[2-(2-oxoimidazolidin-1-yl)ethyl]carbamate

C25H21BrFN7O3 — CID 69035076

About [6-(2-bromophenyl)-2-(4-fluoroanilino)pyrido[2,3-d]pyrimidin-7-yl] N-[2-(2-oxoimidazolidin-1-yl)ethyl]carbamate

[6-(2-bromophenyl)-2-(4-fluoroanilino)pyrido[2,3-d]pyrimidin-7-yl] N-[2-(2-oxoimidazolidin-1-yl)ethyl]carbamate (PubChem CID 69035076) has the molecular formula C25H21BrFN7O3 and a molecular weight of 566.39 g/mol. Its IUPAC name is [6-(2-bromophenyl)-2-(4-fluoroanilino)pyrido[2,3-d]pyrimidin-7-yl] N-[2-(2-oxoimidazolidin-1-yl)ethyl]carbamate.

Molecular Properties

• Compound Name: [6-(2-bromophenyl)-2-(4-fluoroanilino)pyrido[2,3-d]pyrimidin-7-yl] N-[2-(2-oxoimidazolidin-1-yl)ethyl]carbamate
• PubChem CID: 69035076
• Molecular Formula: C25H21BrFN7O3
• Molecular Weight: 566.39 g/mol
• Exact Mass: 565.09
• IUPAC Name: [6-(2-bromophenyl)-2-(4-fluoroanilino)pyrido[2,3-d]pyrimidin-7-yl] N-[2-(2-oxoimidazolidin-1-yl)ethyl]carbamate
• SMILES: O=C(NCCN1CCNC1=O)Oc1nc2nc(Nc3ccc(F)cc3)ncc2cc1-c1ccccc1Br
• InChI: InChI=1S/C25H21BrFN7O3/c26-20-4-2-1-3-18(20)19-13-15-14-30-23(31-17-7-5-16(27)6-8-17)33-21(15)32-22(19)37-25(36)29-10-12-34-11-9-28-24(34)35/h1-8,13-14H,9-12H2,(H,28,35)(H,29,36)(H,30,31,32,33)
• InChIKey: RHVBEAIQKGHIMU-UHFFFAOYSA-N
• XLogP: 4.45
• TPSA: 121.37 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	566.39
LogP ≤ 5	4.45
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [6-(2-bromophenyl)-2-(4-fluoroanilino)pyrido[2,3-d]pyrimidin-7-yl] N-[2-(2-oxoimidazolidin-1-yl)ethyl]carbamate?

The IUPAC name of [6-(2-bromophenyl)-2-(4-fluoroanilino)pyrido[2,3-d]pyrimidin-7-yl] N-[2-(2-oxoimidazolidin-1-yl)ethyl]carbamate (CID 69035076) is [6-(2-bromophenyl)-2-(4-fluoroanilino)pyrido[2,3-d]pyrimidin-7-yl] N-[2-(2-oxoimidazolidin-1-yl)ethyl]carbamate.

What is the SMILES notation for [6-(2-bromophenyl)-2-(4-fluoroanilino)pyrido[2,3-d]pyrimidin-7-yl] N-[2-(2-oxoimidazolidin-1-yl)ethyl]carbamate?

The canonical SMILES for [6-(2-bromophenyl)-2-(4-fluoroanilino)pyrido[2,3-d]pyrimidin-7-yl] N-[2-(2-oxoimidazolidin-1-yl)ethyl]carbamate is O=C(NCCN1CCNC1=O)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-(2-oxoimidazolidin-1-yl)ethyl]carbamate?

The InChIKey is RHVBEAIQKGHIMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21BrFN7O3/c26-20-4-2-1-3-18(20)19-13-15-14-30-23(31-17-7-5-16(27)6-8-17)33-21(15)32-22(19)37-25(36)29-10-12-34-11-9-28-24(34)35/h1-8,13-14H,9-12H2,(H,28,35)(H,29,36)(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-(2-oxoimidazolidin-1-yl)ethyl]carbamate?

[6-(2-bromophenyl)-2-(4-fluoroanilino)pyrido[2,3-d]pyrimidin-7-yl] N-[2-(2-oxoimidazolidin-1-yl)ethyl]carbamate has a molecular weight of 566.39 g/mol, XLogP of 4.45, 7 rotatable bonds, 3 hydrogen bond donors, and 7 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-(2-oxoimidazolidin-1-yl)ethyl]carbamate is sourced from PubChem (CID 69035076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).