2-[5-[2-(dimethylamino)ethylamino]-6-methyl-2-pyridinyl]-N,6-dimethyl-N-[[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]quinoline-4-carboxamide

C29H34F3N7O — CID 164766934

About 2-[5-[2-(dimethylamino)ethylamino]-6-methyl-2-pyridinyl]-N,6-dimethyl-N-[[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]quinoline-4-carboxamide

2-[5-[2-(dimethylamino)ethylamino]-6-methyl-2-pyridinyl]-N,6-dimethyl-N-[[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]quinoline-4-carboxamide (PubChem CID 164766934) has the molecular formula C29H34F3N7O and a molecular weight of 553.63 g/mol. Its IUPAC name is 2-[5-[2-(dimethylamino)ethylamino]-6-methyl-2-pyridinyl]-N,6-dimethyl-N-[[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]quinoline-4-carboxamide.

Molecular Properties

• Compound Name: 2-[5-[2-(dimethylamino)ethylamino]-6-methyl-2-pyridinyl]-N,6-dimethyl-N-[[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]quinoline-4-carboxamide
• PubChem CID: 164766934
• Molecular Formula: C29H34F3N7O
• Molecular Weight: 553.63 g/mol
• Exact Mass: 553.28
• IUPAC Name: 2-[5-[2-(dimethylamino)ethylamino]-6-methyl-2-pyridinyl]-N,6-dimethyl-N-[[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]quinoline-4-carboxamide
• SMILES: Cc1ccc2nc(-c3ccc(NCCN(C)C)c(C)n3)cc(C(=O)N(C)Cc3cnn(CC(F)(F)F)c3C)c2c1
• InChI: InChI=1S/C29H34F3N7O/c1-18-7-8-25-22(13-18)23(28(40)38(6)16-21-15-34-39(20(21)3)17-29(30,31)32)14-27(36-25)26-10-9-24(19(2)35-26)33-11-12-37(4)5/h7-10,13-15,33H,11-12,16-17H2,1-6H3
• InChIKey: XQVGAVJLDQNBJG-UHFFFAOYSA-N
• XLogP: 5.23
• TPSA: 79.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	553.63
LogP ≤ 5	5.23
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-(dimethylamino)ethylamino]-6-methyl-2-pyridinyl]-N,6-dimethyl-N-[[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]quinoline-4-carboxamide?

The IUPAC name of 2-[5-[2-(dimethylamino)ethylamino]-6-methyl-2-pyridinyl]-N,6-dimethyl-N-[[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]quinoline-4-carboxamide (CID 164766934) is 2-[5-[2-(dimethylamino)ethylamino]-6-methyl-2-pyridinyl]-N,6-dimethyl-N-[[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]quinoline-4-carboxamide.

What is the SMILES notation for 2-[5-[2-(dimethylamino)ethylamino]-6-methyl-2-pyridinyl]-N,6-dimethyl-N-[[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]quinoline-4-carboxamide?

The canonical SMILES for 2-[5-[2-(dimethylamino)ethylamino]-6-methyl-2-pyridinyl]-N,6-dimethyl-N-[[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]quinoline-4-carboxamide is Cc1ccc2nc(-c3ccc(NCCN(C)C)c(C)n3)cc(C(=O)N(C)Cc3cnn(CC(F)(F)F)c3C)c2c1.

What is the InChIKey of 2-[5-[2-(dimethylamino)ethylamino]-6-methyl-2-pyridinyl]-N,6-dimethyl-N-[[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]quinoline-4-carboxamide?

The InChIKey is XQVGAVJLDQNBJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34F3N7O/c1-18-7-8-25-22(13-18)23(28(40)38(6)16-21-15-34-39(20(21)3)17-29(30,31)32)14-27(36-25)26-10-9-24(19(2)35-26)33-11-12-37(4)5/h7-10,13-15,33H,11-12,16-17H2,1-6H3.

What are the key properties of 2-[5-[2-(dimethylamino)ethylamino]-6-methyl-2-pyridinyl]-N,6-dimethyl-N-[[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]quinoline-4-carboxamide?

2-[5-[2-(dimethylamino)ethylamino]-6-methyl-2-pyridinyl]-N,6-dimethyl-N-[[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]quinoline-4-carboxamide has a molecular weight of 553.63 g/mol, XLogP of 5.23, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-[2-(dimethylamino)ethylamino]-6-methyl-2-pyridinyl]-N,6-dimethyl-N-[[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]quinoline-4-carboxamide is sourced from PubChem (CID 164766934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).