6-(2-bromophenyl)-N-[1-(dimethylamino)propan-2-yl]-2-(4-fluoroanilino)pyrido[2,3-d]pyrimidine-7-carboxamide

C25H24BrFN6O — CID 11283858

About 6-(2-bromophenyl)-N-[1-(dimethylamino)propan-2-yl]-2-(4-fluoroanilino)pyrido[2,3-d]pyrimidine-7-carboxamide

6-(2-bromophenyl)-N-[1-(dimethylamino)propan-2-yl]-2-(4-fluoroanilino)pyrido[2,3-d]pyrimidine-7-carboxamide (PubChem CID 11283858) has the molecular formula C25H24BrFN6O and a molecular weight of 523.41 g/mol. Its IUPAC name is 6-(2-bromophenyl)-N-[1-(dimethylamino)propan-2-yl]-2-(4-fluoroanilino)pyrido[2,3-d]pyrimidine-7-carboxamide.

Molecular Properties

• Compound Name: 6-(2-bromophenyl)-N-[1-(dimethylamino)propan-2-yl]-2-(4-fluoroanilino)pyrido[2,3-d]pyrimidine-7-carboxamide
• PubChem CID: 11283858
• Molecular Formula: C25H24BrFN6O
• Molecular Weight: 523.41 g/mol
• Exact Mass: 522.12
• IUPAC Name: 6-(2-bromophenyl)-N-[1-(dimethylamino)propan-2-yl]-2-(4-fluoroanilino)pyrido[2,3-d]pyrimidine-7-carboxamide
• SMILES: CC(CN(C)C)NC(=O)c1nc2nc(Nc3ccc(F)cc3)ncc2cc1-c1ccccc1Br
• InChI: InChI=1S/C25H24BrFN6O/c1-15(14-33(2)3)29-24(34)22-20(19-6-4-5-7-21(19)26)12-16-13-28-25(32-23(16)31-22)30-18-10-8-17(27)9-11-18/h4-13,15H,14H2,1-3H3,(H,29,34)(H,28,30,31,32)
• InChIKey: CLLPEGWDSUSZGB-UHFFFAOYSA-N
• XLogP: 5.02
• TPSA: 83.04 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	523.41
LogP ≤ 5	5.02
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-(2-bromophenyl)-N-[1-(dimethylamino)propan-2-yl]-2-(4-fluoroanilino)pyrido[2,3-d]pyrimidine-7-carboxamide?

The IUPAC name of 6-(2-bromophenyl)-N-[1-(dimethylamino)propan-2-yl]-2-(4-fluoroanilino)pyrido[2,3-d]pyrimidine-7-carboxamide (CID 11283858) is 6-(2-bromophenyl)-N-[1-(dimethylamino)propan-2-yl]-2-(4-fluoroanilino)pyrido[2,3-d]pyrimidine-7-carboxamide.

What is the SMILES notation for 6-(2-bromophenyl)-N-[1-(dimethylamino)propan-2-yl]-2-(4-fluoroanilino)pyrido[2,3-d]pyrimidine-7-carboxamide?

The canonical SMILES for 6-(2-bromophenyl)-N-[1-(dimethylamino)propan-2-yl]-2-(4-fluoroanilino)pyrido[2,3-d]pyrimidine-7-carboxamide is CC(CN(C)C)NC(=O)c1nc2nc(Nc3ccc(F)cc3)ncc2cc1-c1ccccc1Br.

What is the InChIKey of 6-(2-bromophenyl)-N-[1-(dimethylamino)propan-2-yl]-2-(4-fluoroanilino)pyrido[2,3-d]pyrimidine-7-carboxamide?

The InChIKey is CLLPEGWDSUSZGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24BrFN6O/c1-15(14-33(2)3)29-24(34)22-20(19-6-4-5-7-21(19)26)12-16-13-28-25(32-23(16)31-22)30-18-10-8-17(27)9-11-18/h4-13,15H,14H2,1-3H3,(H,29,34)(H,28,30,31,32).

What are the key properties of 6-(2-bromophenyl)-N-[1-(dimethylamino)propan-2-yl]-2-(4-fluoroanilino)pyrido[2,3-d]pyrimidine-7-carboxamide?

6-(2-bromophenyl)-N-[1-(dimethylamino)propan-2-yl]-2-(4-fluoroanilino)pyrido[2,3-d]pyrimidine-7-carboxamide has a molecular weight of 523.41 g/mol, XLogP of 5.02, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(2-bromophenyl)-N-[1-(dimethylamino)propan-2-yl]-2-(4-fluoroanilino)pyrido[2,3-d]pyrimidine-7-carboxamide is sourced from PubChem (CID 11283858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).