2-[5-[2-(dimethylamino)ethylamino]-6-methyl-2-pyridinyl]-N-[(1S)-1-(1-ethyl-5-methylpyrazol-4-yl)-2,2,2-trifluoroethyl]-6-hydroxy-N-methylquinoline-4-carboxamide

C29H34F3N7O2 — CID 167060165

About 2-[5-[2-(dimethylamino)ethylamino]-6-methyl-2-pyridinyl]-N-[(1S)-1-(1-ethyl-5-methylpyrazol-4-yl)-2,2,2-trifluoroethyl]-6-hydroxy-N-methylquinoline-4-carboxamide

2-[5-[2-(dimethylamino)ethylamino]-6-methyl-2-pyridinyl]-N-[(1S)-1-(1-ethyl-5-methylpyrazol-4-yl)-2,2,2-trifluoroethyl]-6-hydroxy-N-methylquinoline-4-carboxamide (PubChem CID 167060165) has the molecular formula C29H34F3N7O2 and a molecular weight of 569.63 g/mol. Its IUPAC name is 2-[5-[2-(dimethylamino)ethylamino]-6-methyl-2-pyridinyl]-N-[(1S)-1-(1-ethyl-5-methylpyrazol-4-yl)-2,2,2-trifluoroethyl]-6-hydroxy-N-methylquinoline-4-carboxamide.

Molecular Properties

• Compound Name: 2-[5-[2-(dimethylamino)ethylamino]-6-methyl-2-pyridinyl]-N-[(1S)-1-(1-ethyl-5-methylpyrazol-4-yl)-2,2,2-trifluoroethyl]-6-hydroxy-N-methylquinoline-4-carboxamide
• PubChem CID: 167060165
• Molecular Formula: C29H34F3N7O2
• Molecular Weight: 569.63 g/mol
• Exact Mass: 569.27
• IUPAC Name: 2-[5-[2-(dimethylamino)ethylamino]-6-methyl-2-pyridinyl]-N-[(1S)-1-(1-ethyl-5-methylpyrazol-4-yl)-2,2,2-trifluoroethyl]-6-hydroxy-N-methylquinoline-4-carboxamide
• SMILES: CCn1ncc([C@H](N(C)C(=O)c2cc(-c3ccc(NCCN(C)C)c(C)n3)nc3ccc(O)cc23)C(F)(F)F)c1C
• InChI: InChI=1S/C29H34F3N7O2/c1-7-39-18(3)22(16-34-39)27(29(30,31)32)38(6)28(41)21-15-26(36-24-9-8-19(40)14-20(21)24)25-11-10-23(17(2)35-25)33-12-13-37(4)5/h8-11,14-16,27,33,40H,7,12-13H2,1-6H3/t27-/m0/s1
• InChIKey: WGWLMBMZJXLWAU-MHZLTWQESA-N
• XLogP: 5.18
• TPSA: 99.41 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	569.63
LogP ≤ 5	5.18
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-(dimethylamino)ethylamino]-6-methyl-2-pyridinyl]-N-[(1S)-1-(1-ethyl-5-methylpyrazol-4-yl)-2,2,2-trifluoroethyl]-6-hydroxy-N-methylquinoline-4-carboxamide?

The IUPAC name of 2-[5-[2-(dimethylamino)ethylamino]-6-methyl-2-pyridinyl]-N-[(1S)-1-(1-ethyl-5-methylpyrazol-4-yl)-2,2,2-trifluoroethyl]-6-hydroxy-N-methylquinoline-4-carboxamide (CID 167060165) is 2-[5-[2-(dimethylamino)ethylamino]-6-methyl-2-pyridinyl]-N-[(1S)-1-(1-ethyl-5-methylpyrazol-4-yl)-2,2,2-trifluoroethyl]-6-hydroxy-N-methylquinoline-4-carboxamide.

What is the SMILES notation for 2-[5-[2-(dimethylamino)ethylamino]-6-methyl-2-pyridinyl]-N-[(1S)-1-(1-ethyl-5-methylpyrazol-4-yl)-2,2,2-trifluoroethyl]-6-hydroxy-N-methylquinoline-4-carboxamide?

The canonical SMILES for 2-[5-[2-(dimethylamino)ethylamino]-6-methyl-2-pyridinyl]-N-[(1S)-1-(1-ethyl-5-methylpyrazol-4-yl)-2,2,2-trifluoroethyl]-6-hydroxy-N-methylquinoline-4-carboxamide is CCn1ncc([C@H](N(C)C(=O)c2cc(-c3ccc(NCCN(C)C)c(C)n3)nc3ccc(O)cc23)C(F)(F)F)c1C.

What is the InChIKey of 2-[5-[2-(dimethylamino)ethylamino]-6-methyl-2-pyridinyl]-N-[(1S)-1-(1-ethyl-5-methylpyrazol-4-yl)-2,2,2-trifluoroethyl]-6-hydroxy-N-methylquinoline-4-carboxamide?

The InChIKey is WGWLMBMZJXLWAU-MHZLTWQESA-N. The full InChI is InChI=1S/C29H34F3N7O2/c1-7-39-18(3)22(16-34-39)27(29(30,31)32)38(6)28(41)21-15-26(36-24-9-8-19(40)14-20(21)24)25-11-10-23(17(2)35-25)33-12-13-37(4)5/h8-11,14-16,27,33,40H,7,12-13H2,1-6H3/t27-/m0/s1.

What are the key properties of 2-[5-[2-(dimethylamino)ethylamino]-6-methyl-2-pyridinyl]-N-[(1S)-1-(1-ethyl-5-methylpyrazol-4-yl)-2,2,2-trifluoroethyl]-6-hydroxy-N-methylquinoline-4-carboxamide?

2-[5-[2-(dimethylamino)ethylamino]-6-methyl-2-pyridinyl]-N-[(1S)-1-(1-ethyl-5-methylpyrazol-4-yl)-2,2,2-trifluoroethyl]-6-hydroxy-N-methylquinoline-4-carboxamide has a molecular weight of 569.63 g/mol, XLogP of 5.18, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-[2-(dimethylamino)ethylamino]-6-methyl-2-pyridinyl]-N-[(1S)-1-(1-ethyl-5-methylpyrazol-4-yl)-2,2,2-trifluoroethyl]-6-hydroxy-N-methylquinoline-4-carboxamide is sourced from PubChem (CID 167060165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).