4-[2-(dimethylamino)propyl]-N-[4-methyl-3-[[4-[5-(4-methyl-1,2-oxazol-5-yl)-3-pyridinyl]pyrimidin-2-yl]amino]phenyl]-2-(trifluoromethyl)benzamide

C33H32F3N7O2 — CID 155688868

About 4-[2-(dimethylamino)propyl]-N-[4-methyl-3-[[4-[5-(4-methyl-1,2-oxazol-5-yl)-3-pyridinyl]pyrimidin-2-yl]amino]phenyl]-2-(trifluoromethyl)benzamide

4-[2-(dimethylamino)propyl]-N-[4-methyl-3-[[4-[5-(4-methyl-1,2-oxazol-5-yl)-3-pyridinyl]pyrimidin-2-yl]amino]phenyl]-2-(trifluoromethyl)benzamide (PubChem CID 155688868) has the molecular formula C33H32F3N7O2 and a molecular weight of 615.66 g/mol. Its IUPAC name is 4-[2-(dimethylamino)propyl]-N-[4-methyl-3-[[4-[5-(4-methyl-1,2-oxazol-5-yl)-3-pyridinyl]pyrimidin-2-yl]amino]phenyl]-2-(trifluoromethyl)benzamide.

Molecular Properties

• Compound Name: 4-[2-(dimethylamino)propyl]-N-[4-methyl-3-[[4-[5-(4-methyl-1,2-oxazol-5-yl)-3-pyridinyl]pyrimidin-2-yl]amino]phenyl]-2-(trifluoromethyl)benzamide
• PubChem CID: 155688868
• Molecular Formula: C33H32F3N7O2
• Molecular Weight: 615.66 g/mol
• Exact Mass: 615.26
• IUPAC Name: 4-[2-(dimethylamino)propyl]-N-[4-methyl-3-[[4-[5-(4-methyl-1,2-oxazol-5-yl)-3-pyridinyl]pyrimidin-2-yl]amino]phenyl]-2-(trifluoromethyl)benzamide
• SMILES: Cc1ccc(NC(=O)c2ccc(CC(C)N(C)C)cc2C(F)(F)F)cc1Nc1nccc(-c2cncc(-c3oncc3C)c2)n1
• InChI: InChI=1S/C33H32F3N7O2/c1-19-6-8-25(40-31(44)26-9-7-22(12-21(3)43(4)5)13-27(26)33(34,35)36)15-29(19)42-32-38-11-10-28(41-32)23-14-24(18-37-17-23)30-20(2)16-39-45-30/h6-11,13-18,21H,12H2,1-5H3,(H,40,44)(H,38,41,42)
• InChIKey: STYRMDFUQKUQIN-UHFFFAOYSA-N
• XLogP: 7.32
• TPSA: 109.07 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	615.66
LogP ≤ 5	7.32
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-[2-(dimethylamino)propyl]-N-[4-methyl-3-[[4-[5-(4-methyl-1,2-oxazol-5-yl)-3-pyridinyl]pyrimidin-2-yl]amino]phenyl]-2-(trifluoromethyl)benzamide?

The IUPAC name of 4-[2-(dimethylamino)propyl]-N-[4-methyl-3-[[4-[5-(4-methyl-1,2-oxazol-5-yl)-3-pyridinyl]pyrimidin-2-yl]amino]phenyl]-2-(trifluoromethyl)benzamide (CID 155688868) is 4-[2-(dimethylamino)propyl]-N-[4-methyl-3-[[4-[5-(4-methyl-1,2-oxazol-5-yl)-3-pyridinyl]pyrimidin-2-yl]amino]phenyl]-2-(trifluoromethyl)benzamide.

What is the SMILES notation for 4-[2-(dimethylamino)propyl]-N-[4-methyl-3-[[4-[5-(4-methyl-1,2-oxazol-5-yl)-3-pyridinyl]pyrimidin-2-yl]amino]phenyl]-2-(trifluoromethyl)benzamide?

The canonical SMILES for 4-[2-(dimethylamino)propyl]-N-[4-methyl-3-[[4-[5-(4-methyl-1,2-oxazol-5-yl)-3-pyridinyl]pyrimidin-2-yl]amino]phenyl]-2-(trifluoromethyl)benzamide is Cc1ccc(NC(=O)c2ccc(CC(C)N(C)C)cc2C(F)(F)F)cc1Nc1nccc(-c2cncc(-c3oncc3C)c2)n1.

What is the InChIKey of 4-[2-(dimethylamino)propyl]-N-[4-methyl-3-[[4-[5-(4-methyl-1,2-oxazol-5-yl)-3-pyridinyl]pyrimidin-2-yl]amino]phenyl]-2-(trifluoromethyl)benzamide?

The InChIKey is STYRMDFUQKUQIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H32F3N7O2/c1-19-6-8-25(40-31(44)26-9-7-22(12-21(3)43(4)5)13-27(26)33(34,35)36)15-29(19)42-32-38-11-10-28(41-32)23-14-24(18-37-17-23)30-20(2)16-39-45-30/h6-11,13-18,21H,12H2,1-5H3,(H,40,44)(H,38,41,42).

What are the key properties of 4-[2-(dimethylamino)propyl]-N-[4-methyl-3-[[4-[5-(4-methyl-1,2-oxazol-5-yl)-3-pyridinyl]pyrimidin-2-yl]amino]phenyl]-2-(trifluoromethyl)benzamide?

4-[2-(dimethylamino)propyl]-N-[4-methyl-3-[[4-[5-(4-methyl-1,2-oxazol-5-yl)-3-pyridinyl]pyrimidin-2-yl]amino]phenyl]-2-(trifluoromethyl)benzamide has a molecular weight of 615.66 g/mol, XLogP of 7.32, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-(dimethylamino)propyl]-N-[4-methyl-3-[[4-[5-(4-methyl-1,2-oxazol-5-yl)-3-pyridinyl]pyrimidin-2-yl]amino]phenyl]-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 155688868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).