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

C24H17BrFN7O2 — CID 69038524

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

[6-(2-bromophenyl)-2-(4-fluoroanilino)pyrido[2,3-d]pyrimidin-7-yl] N-(2-methylpyrazol-3-yl)carbamate (PubChem CID 69038524) has the molecular formula C24H17BrFN7O2 and a molecular weight of 534.35 g/mol. Its IUPAC name is [6-(2-bromophenyl)-2-(4-fluoroanilino)pyrido[2,3-d]pyrimidin-7-yl] N-(2-methylpyrazol-3-yl)carbamate.

Molecular Properties

• Compound Name: [6-(2-bromophenyl)-2-(4-fluoroanilino)pyrido[2,3-d]pyrimidin-7-yl] N-(2-methylpyrazol-3-yl)carbamate
• PubChem CID: 69038524
• Molecular Formula: C24H17BrFN7O2
• Molecular Weight: 534.35 g/mol
• Exact Mass: 533.06
• IUPAC Name: [6-(2-bromophenyl)-2-(4-fluoroanilino)pyrido[2,3-d]pyrimidin-7-yl] N-(2-methylpyrazol-3-yl)carbamate
• SMILES: Cn1nccc1NC(=O)Oc1nc2nc(Nc3ccc(F)cc3)ncc2cc1-c1ccccc1Br
• InChI: InChI=1S/C24H17BrFN7O2/c1-33-20(10-11-28-33)30-24(34)35-22-18(17-4-2-3-5-19(17)25)12-14-13-27-23(32-21(14)31-22)29-16-8-6-15(26)7-9-16/h2-13H,1H3,(H,30,34)(H,27,29,31,32)
• InChIKey: LYTJYSGYBYVNSP-UHFFFAOYSA-N
• XLogP: 5.68
• TPSA: 106.85 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	534.35
LogP ≤ 5	5.68
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-methylpyrazol-3-yl)carbamate?

The IUPAC name of [6-(2-bromophenyl)-2-(4-fluoroanilino)pyrido[2,3-d]pyrimidin-7-yl] N-(2-methylpyrazol-3-yl)carbamate (CID 69038524) is [6-(2-bromophenyl)-2-(4-fluoroanilino)pyrido[2,3-d]pyrimidin-7-yl] N-(2-methylpyrazol-3-yl)carbamate.

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

The canonical SMILES for [6-(2-bromophenyl)-2-(4-fluoroanilino)pyrido[2,3-d]pyrimidin-7-yl] N-(2-methylpyrazol-3-yl)carbamate is Cn1nccc1NC(=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-methylpyrazol-3-yl)carbamate?

The InChIKey is LYTJYSGYBYVNSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17BrFN7O2/c1-33-20(10-11-28-33)30-24(34)35-22-18(17-4-2-3-5-19(17)25)12-14-13-27-23(32-21(14)31-22)29-16-8-6-15(26)7-9-16/h2-13H,1H3,(H,30,34)(H,27,29,31,32).

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

[6-(2-bromophenyl)-2-(4-fluoroanilino)pyrido[2,3-d]pyrimidin-7-yl] N-(2-methylpyrazol-3-yl)carbamate has a molecular weight of 534.35 g/mol, XLogP of 5.68, 5 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-methylpyrazol-3-yl)carbamate is sourced from PubChem (CID 69038524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).