2-[6-(6,7-dimethoxyquinolin-3-yl)-3-pyridinyl]-N-[1-methyl-3-(1,1,1-trifluoro-2-methylpropan-2-yl)pyrazol-5-yl]acetamide;2-[6-(6,7-dimethoxyquinolin-3-yl)-3-pyridinyl]-N-[3-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-5-yl]acetamide;2-[6-(6,7-dimethoxyquinolin-3-yl)-3-pyridinyl]-N-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]acetamide;2-[6-(6,7-dimethoxyquinolin-3-yl)-3-pyridinyl]-N-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1H-pyrazol-3-yl]acetamide

C101H96F12N18O14 — CID 157146106

About 2-[6-(6,7-dimethoxyquinolin-3-yl)-3-pyridinyl]-N-[1-methyl-3-(1,1,1-trifluoro-2-methylpropan-2-yl)pyrazol-5-yl]acetamide;2-[6-(6,7-dimethoxyquinolin-3-yl)-3-pyridinyl]-N-[3-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-5-yl]acetamide;2-[6-(6,7-dimethoxyquinolin-3-yl)-3-pyridinyl]-N-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]acetamide;2-[6-(6,7-dimethoxyquinolin-3-yl)-3-pyridinyl]-N-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1H-pyrazol-3-yl]acetamide

2-[6-(6,7-dimethoxyquinolin-3-yl)-3-pyridinyl]-N-[1-methyl-3-(1,1,1-trifluoro-2-methylpropan-2-yl)pyrazol-5-yl]acetamide;2-[6-(6,7-dimethoxyquinolin-3-yl)-3-pyridinyl]-N-[3-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-5-yl]acetamide;2-[6-(6,7-dimethoxyquinolin-3-yl)-3-pyridinyl]-N-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]acetamide;2-[6-(6,7-dimethoxyquinolin-3-yl)-3-pyridinyl]-N-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1H-pyrazol-3-yl]acetamide (PubChem CID 157146106) has the molecular formula C101H96F12N18O14 and a molecular weight of 2013.97 g/mol. Its IUPAC name is 2-[6-(6,7-dimethoxyquinolin-3-yl)-3-pyridinyl]-N-[1-methyl-3-(1,1,1-trifluoro-2-methylpropan-2-yl)pyrazol-5-yl]acetamide;2-[6-(6,7-dimethoxyquinolin-3-yl)-3-pyridinyl]-N-[3-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-5-yl]acetamide;2-[6-(6,7-dimethoxyquinolin-3-yl)-3-pyridinyl]-N-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]acetamide;2-[6-(6,7-dimethoxyquinolin-3-yl)-3-pyridinyl]-N-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1H-pyrazol-3-yl]acetamide.

Molecular Properties

• Compound Name: 2-[6-(6,7-dimethoxyquinolin-3-yl)-3-pyridinyl]-N-[1-methyl-3-(1,1,1-trifluoro-2-methylpropan-2-yl)pyrazol-5-yl]acetamide;2-[6-(6,7-dimethoxyquinolin-3-yl)-3-pyridinyl]-N-[3-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-5-yl]acetamide;2-[6-(6,7-dimethoxyquinolin-3-yl)-3-pyridinyl]-N-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]acetamide;2-[6-(6,7-dimethoxyquinolin-3-yl)-3-pyridinyl]-N-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1H-pyrazol-3-yl]acetamide
• PubChem CID: 157146106
• Molecular Formula: C101H96F12N18O14
• Molecular Weight: 2013.97 g/mol
• Exact Mass: 2012.72
• IUPAC Name: 2-[6-(6,7-dimethoxyquinolin-3-yl)-3-pyridinyl]-N-[1-methyl-3-(1,1,1-trifluoro-2-methylpropan-2-yl)pyrazol-5-yl]acetamide;2-[6-(6,7-dimethoxyquinolin-3-yl)-3-pyridinyl]-N-[3-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-5-yl]acetamide;2-[6-(6,7-dimethoxyquinolin-3-yl)-3-pyridinyl]-N-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]acetamide;2-[6-(6,7-dimethoxyquinolin-3-yl)-3-pyridinyl]-N-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1H-pyrazol-3-yl]acetamide
• SMILES: COc1cc2cc(-c3ccc(CC(=O)Nc4cc(C(C)(C)C(F)(F)F)[nH]n4)cn3)cnc2cc1OC.COc1cc2cc(-c3ccc(CC(=O)Nc4cc(C(C)(C)C(F)(F)F)nn4C)cn3)cnc2cc1OC.COc1cc2cc(-c3ccc(CC(=O)Nc4cc(C(C)(C)C(F)(F)F)no4)cn3)cnc2cc1OC.COc1cc2cc(-c3ccc(CC(=O)Nc4cc(C(C)(C)C(F)(F)F)on4)cn3)cnc2cc1OC
• InChI: InChI=1S/C26H26F3N5O3.C25H24F3N5O3.2C25H23F3N4O4/c1-25(2,26(27,28)29)22-12-23(34(3)33-22)32-24(35)8-15-6-7-18(30-13-15)17-9-16-10-20(36-4)21(37-5)11-19(16)31-14-17;1-24(2,25(26,27)28)21-11-22(33-32-21)31-23(34)7-14-5-6-17(29-12-14)16-8-15-9-19(35-3)20(36-4)10-18(15)30-13-16;1-24(2,25(26,27)28)21-11-22(32-36-21)31-23(33)7-14-5-6-17(29-12-14)16-8-15-9-19(34-3)20(35-4)10-18(15)30-13-16;1-24(2,25(26,27)28)21-11-23(36-32-21)31-22(33)7-14-5-6-17(29-12-14)16-8-15-9-19(34-3)20(35-4)10-18(15)30-13-16/h6-7,9-14H,8H2,1-5H3,(H,32,35);5-6,8-13H,7H2,1-4H3,(H2,31,32,33,34);5-6,8-13H,7H2,1-4H3,(H,31,32,33);5-6,8-13H,7H2,1-4H3,(H,31,33)
• InChIKey: AKSIIDCIPNMQRJ-UHFFFAOYSA-N
• XLogP: 20.77
• TPSA: 391.92 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 27
• Rotatable Bonds: 28
• Heavy Atoms: 145
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2013.97
LogP ≤ 5	20.77
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	27

Frequently Asked Questions

What is the IUPAC name of 2-[6-(6,7-dimethoxyquinolin-3-yl)-3-pyridinyl]-N-[1-methyl-3-(1,1,1-trifluoro-2-methylpropan-2-yl)pyrazol-5-yl]acetamide;2-[6-(6,7-dimethoxyquinolin-3-yl)-3-pyridinyl]-N-[3-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-5-yl]acetamide;2-[6-(6,7-dimethoxyquinolin-3-yl)-3-pyridinyl]-N-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]acetamide;2-[6-(6,7-dimethoxyquinolin-3-yl)-3-pyridinyl]-N-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1H-pyrazol-3-yl]acetamide?

The IUPAC name of 2-[6-(6,7-dimethoxyquinolin-3-yl)-3-pyridinyl]-N-[1-methyl-3-(1,1,1-trifluoro-2-methylpropan-2-yl)pyrazol-5-yl]acetamide;2-[6-(6,7-dimethoxyquinolin-3-yl)-3-pyridinyl]-N-[3-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-5-yl]acetamide;2-[6-(6,7-dimethoxyquinolin-3-yl)-3-pyridinyl]-N-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]acetamide;2-[6-(6,7-dimethoxyquinolin-3-yl)-3-pyridinyl]-N-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1H-pyrazol-3-yl]acetamide (CID 157146106) is 2-[6-(6,7-dimethoxyquinolin-3-yl)-3-pyridinyl]-N-[1-methyl-3-(1,1,1-trifluoro-2-methylpropan-2-yl)pyrazol-5-yl]acetamide;2-[6-(6,7-dimethoxyquinolin-3-yl)-3-pyridinyl]-N-[3-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-5-yl]acetamide;2-[6-(6,7-dimethoxyquinolin-3-yl)-3-pyridinyl]-N-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]acetamide;2-[6-(6,7-dimethoxyquinolin-3-yl)-3-pyridinyl]-N-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1H-pyrazol-3-yl]acetamide.

What is the SMILES notation for 2-[6-(6,7-dimethoxyquinolin-3-yl)-3-pyridinyl]-N-[1-methyl-3-(1,1,1-trifluoro-2-methylpropan-2-yl)pyrazol-5-yl]acetamide;2-[6-(6,7-dimethoxyquinolin-3-yl)-3-pyridinyl]-N-[3-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-5-yl]acetamide;2-[6-(6,7-dimethoxyquinolin-3-yl)-3-pyridinyl]-N-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]acetamide;2-[6-(6,7-dimethoxyquinolin-3-yl)-3-pyridinyl]-N-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1H-pyrazol-3-yl]acetamide?

The canonical SMILES for 2-[6-(6,7-dimethoxyquinolin-3-yl)-3-pyridinyl]-N-[1-methyl-3-(1,1,1-trifluoro-2-methylpropan-2-yl)pyrazol-5-yl]acetamide;2-[6-(6,7-dimethoxyquinolin-3-yl)-3-pyridinyl]-N-[3-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-5-yl]acetamide;2-[6-(6,7-dimethoxyquinolin-3-yl)-3-pyridinyl]-N-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]acetamide;2-[6-(6,7-dimethoxyquinolin-3-yl)-3-pyridinyl]-N-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1H-pyrazol-3-yl]acetamide is COc1cc2cc(-c3ccc(CC(=O)Nc4cc(C(C)(C)C(F)(F)F)[nH]n4)cn3)cnc2cc1OC.COc1cc2cc(-c3ccc(CC(=O)Nc4cc(C(C)(C)C(F)(F)F)nn4C)cn3)cnc2cc1OC.COc1cc2cc(-c3ccc(CC(=O)Nc4cc(C(C)(C)C(F)(F)F)no4)cn3)cnc2cc1OC.COc1cc2cc(-c3ccc(CC(=O)Nc4cc(C(C)(C)C(F)(F)F)on4)cn3)cnc2cc1OC.

What is the InChIKey of 2-[6-(6,7-dimethoxyquinolin-3-yl)-3-pyridinyl]-N-[1-methyl-3-(1,1,1-trifluoro-2-methylpropan-2-yl)pyrazol-5-yl]acetamide;2-[6-(6,7-dimethoxyquinolin-3-yl)-3-pyridinyl]-N-[3-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-5-yl]acetamide;2-[6-(6,7-dimethoxyquinolin-3-yl)-3-pyridinyl]-N-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]acetamide;2-[6-(6,7-dimethoxyquinolin-3-yl)-3-pyridinyl]-N-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1H-pyrazol-3-yl]acetamide?

The InChIKey is AKSIIDCIPNMQRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26F3N5O3.C25H24F3N5O3.2C25H23F3N4O4/c1-25(2,26(27,28)29)22-12-23(34(3)33-22)32-24(35)8-15-6-7-18(30-13-15)17-9-16-10-20(36-4)21(37-5)11-19(16)31-14-17;1-24(2,25(26,27)28)21-11-22(33-32-21)31-23(34)7-14-5-6-17(29-12-14)16-8-15-9-19(35-3)20(36-4)10-18(15)30-13-16;1-24(2,25(26,27)28)21-11-22(32-36-21)31-23(33)7-14-5-6-17(29-12-14)16-8-15-9-19(34-3)20(35-4)10-18(15)30-13-16;1-24(2,25(26,27)28)21-11-23(36-32-21)31-22(33)7-14-5-6-17(29-12-14)16-8-15-9-19(34-3)20(35-4)10-18(15)30-13-16/h6-7,9-14H,8H2,1-5H3,(H,32,35);5-6,8-13H,7H2,1-4H3,(H2,31,32,33,34);5-6,8-13H,7H2,1-4H3,(H,31,32,33);5-6,8-13H,7H2,1-4H3,(H,31,33).

What are the key properties of 2-[6-(6,7-dimethoxyquinolin-3-yl)-3-pyridinyl]-N-[1-methyl-3-(1,1,1-trifluoro-2-methylpropan-2-yl)pyrazol-5-yl]acetamide;2-[6-(6,7-dimethoxyquinolin-3-yl)-3-pyridinyl]-N-[3-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-5-yl]acetamide;2-[6-(6,7-dimethoxyquinolin-3-yl)-3-pyridinyl]-N-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]acetamide;2-[6-(6,7-dimethoxyquinolin-3-yl)-3-pyridinyl]-N-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1H-pyrazol-3-yl]acetamide?

2-[6-(6,7-dimethoxyquinolin-3-yl)-3-pyridinyl]-N-[1-methyl-3-(1,1,1-trifluoro-2-methylpropan-2-yl)pyrazol-5-yl]acetamide;2-[6-(6,7-dimethoxyquinolin-3-yl)-3-pyridinyl]-N-[3-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-5-yl]acetamide;2-[6-(6,7-dimethoxyquinolin-3-yl)-3-pyridinyl]-N-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]acetamide;2-[6-(6,7-dimethoxyquinolin-3-yl)-3-pyridinyl]-N-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1H-pyrazol-3-yl]acetamide has a molecular weight of 2013.97 g/mol, XLogP of 20.77, 28 rotatable bonds, 5 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-(6,7-dimethoxyquinolin-3-yl)-3-pyridinyl]-N-[1-methyl-3-(1,1,1-trifluoro-2-methylpropan-2-yl)pyrazol-5-yl]acetamide;2-[6-(6,7-dimethoxyquinolin-3-yl)-3-pyridinyl]-N-[3-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-5-yl]acetamide;2-[6-(6,7-dimethoxyquinolin-3-yl)-3-pyridinyl]-N-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]acetamide;2-[6-(6,7-dimethoxyquinolin-3-yl)-3-pyridinyl]-N-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1H-pyrazol-3-yl]acetamide is sourced from PubChem (CID 157146106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).