2-bromo-3-(trifluoromethyl)pyridine;tert-butyl (3S)-3-[[1-cyclopentyl-5-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carbonyl]amino]-5-(3,3-difluoropiperidin-1-yl)pentanoate;(3S)-3-[[1-cyclopentyl-5-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carbonyl]amino]-5-(3,3-difluoropiperidin-1-yl)pentanoic acid;1-cyclopentyl-5-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxylic acid;ethyl 1-cyclopentyl-5-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxylate

C92H103BrF19N17O10 — CID 160660418

About 2-bromo-3-(trifluoromethyl)pyridine;tert-butyl (3S)-3-[[1-cyclopentyl-5-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carbonyl]amino]-5-(3,3-difluoropiperidin-1-yl)pentanoate;(3S)-3-[[1-cyclopentyl-5-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carbonyl]amino]-5-(3,3-difluoropiperidin-1-yl)pentanoic acid;1-cyclopentyl-5-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxylic acid;ethyl 1-cyclopentyl-5-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxylate

2-bromo-3-(trifluoromethyl)pyridine;tert-butyl (3S)-3-[[1-cyclopentyl-5-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carbonyl]amino]-5-(3,3-difluoropiperidin-1-yl)pentanoate;(3S)-3-[[1-cyclopentyl-5-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carbonyl]amino]-5-(3,3-difluoropiperidin-1-yl)pentanoic acid;1-cyclopentyl-5-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxylic acid;ethyl 1-cyclopentyl-5-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxylate (PubChem CID 160660418) has the molecular formula C92H103BrF19N17O10 and a molecular weight of 2047.81 g/mol. Its IUPAC name is 2-bromo-3-(trifluoromethyl)pyridine;tert-butyl (3S)-3-[[1-cyclopentyl-5-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carbonyl]amino]-5-(3,3-difluoropiperidin-1-yl)pentanoate;(3S)-3-[[1-cyclopentyl-5-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carbonyl]amino]-5-(3,3-difluoropiperidin-1-yl)pentanoic acid;1-cyclopentyl-5-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxylic acid;ethyl 1-cyclopentyl-5-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxylate.

Molecular Properties

• Compound Name: 2-bromo-3-(trifluoromethyl)pyridine;tert-butyl (3S)-3-[[1-cyclopentyl-5-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carbonyl]amino]-5-(3,3-difluoropiperidin-1-yl)pentanoate;(3S)-3-[[1-cyclopentyl-5-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carbonyl]amino]-5-(3,3-difluoropiperidin-1-yl)pentanoic acid;1-cyclopentyl-5-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxylic acid;ethyl 1-cyclopentyl-5-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxylate
• PubChem CID: 160660418
• Molecular Formula: C92H103BrF19N17O10
• Molecular Weight: 2047.81 g/mol
• Exact Mass: 2045.70
• IUPAC Name: 2-bromo-3-(trifluoromethyl)pyridine;tert-butyl (3S)-3-[[1-cyclopentyl-5-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carbonyl]amino]-5-(3,3-difluoropiperidin-1-yl)pentanoate;(3S)-3-[[1-cyclopentyl-5-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carbonyl]amino]-5-(3,3-difluoropiperidin-1-yl)pentanoic acid;1-cyclopentyl-5-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxylic acid;ethyl 1-cyclopentyl-5-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxylate
• SMILES: CC(C)(C)OC(=O)C[C@H](CCN1CCCC(F)(F)C1)NC(=O)c1cc(-c2ncccc2C(F)(F)F)n(C2CCCC2)n1.CCOC(=O)c1cc(-c2ncccc2C(F)(F)F)n(C2CCCC2)n1.FC(F)(F)c1cccnc1Br.O=C(O)C[C@H](CCN1CCCC(F)(F)C1)NC(=O)c1cc(-c2ncccc2C(F)(F)F)n(C2CCCC2)n1.O=C(O)c1cc(-c2ncccc2C(F)(F)F)n(C2CCCC2)n1
• InChI: InChI=1S/C29H38F5N5O3.C25H30F5N5O3.C17H18F3N3O2.C15H14F3N3O2.C6H3BrF3N/c1-27(2,3)42-24(40)16-19(11-15-38-14-7-12-28(30,31)18-38)36-26(41)22-17-23(39(37-22)20-8-4-5-9-20)25-21(29(32,33)34)10-6-13-35-25;26-24(27)9-4-11-34(15-24)12-8-16(13-21(36)37)32-23(38)19-14-20(35(33-19)17-5-1-2-6-17)22-18(25(28,29)30)7-3-10-31-22;1-2-25-16(24)13-10-14(23(22-13)11-6-3-4-7-11)15-12(17(18,19)20)8-5-9-21-15;16-15(17,18)10-6-3-7-19-13(10)12-8-11(14(22)23)20-21(12)9-4-1-2-5-9;7-5-4(6(8,9)10)2-1-3-11-5/h6,10,13,17,19-20H,4-5,7-9,11-12,14-16,18H2,1-3H3,(H,36,41);3,7,10,14,16-17H,1-2,4-6,8-9,11-13,15H2,(H,32,38)(H,36,37);5,8-11H,2-4,6-7H2,1H3;3,6-9H,1-2,4-5H2,(H,22,23);1-3H/t19-;16-;;;/m00.../s1
• InChIKey: RLPGHOHNLOPMSR-ANEHZMNMSA-N
• XLogP: 21.70
• TPSA: 327.61 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 23
• Rotatable Bonds: 25
• Heavy Atoms: 139
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2047.81
LogP ≤ 5	21.70
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-(trifluoromethyl)pyridine;tert-butyl (3S)-3-[[1-cyclopentyl-5-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carbonyl]amino]-5-(3,3-difluoropiperidin-1-yl)pentanoate;(3S)-3-[[1-cyclopentyl-5-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carbonyl]amino]-5-(3,3-difluoropiperidin-1-yl)pentanoic acid;1-cyclopentyl-5-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxylic acid;ethyl 1-cyclopentyl-5-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxylate?

The IUPAC name of 2-bromo-3-(trifluoromethyl)pyridine;tert-butyl (3S)-3-[[1-cyclopentyl-5-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carbonyl]amino]-5-(3,3-difluoropiperidin-1-yl)pentanoate;(3S)-3-[[1-cyclopentyl-5-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carbonyl]amino]-5-(3,3-difluoropiperidin-1-yl)pentanoic acid;1-cyclopentyl-5-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxylic acid;ethyl 1-cyclopentyl-5-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxylate (CID 160660418) is 2-bromo-3-(trifluoromethyl)pyridine;tert-butyl (3S)-3-[[1-cyclopentyl-5-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carbonyl]amino]-5-(3,3-difluoropiperidin-1-yl)pentanoate;(3S)-3-[[1-cyclopentyl-5-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carbonyl]amino]-5-(3,3-difluoropiperidin-1-yl)pentanoic acid;1-cyclopentyl-5-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxylic acid;ethyl 1-cyclopentyl-5-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxylate.

What is the SMILES notation for 2-bromo-3-(trifluoromethyl)pyridine;tert-butyl (3S)-3-[[1-cyclopentyl-5-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carbonyl]amino]-5-(3,3-difluoropiperidin-1-yl)pentanoate;(3S)-3-[[1-cyclopentyl-5-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carbonyl]amino]-5-(3,3-difluoropiperidin-1-yl)pentanoic acid;1-cyclopentyl-5-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxylic acid;ethyl 1-cyclopentyl-5-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxylate?

The canonical SMILES for 2-bromo-3-(trifluoromethyl)pyridine;tert-butyl (3S)-3-[[1-cyclopentyl-5-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carbonyl]amino]-5-(3,3-difluoropiperidin-1-yl)pentanoate;(3S)-3-[[1-cyclopentyl-5-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carbonyl]amino]-5-(3,3-difluoropiperidin-1-yl)pentanoic acid;1-cyclopentyl-5-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxylic acid;ethyl 1-cyclopentyl-5-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxylate is CC(C)(C)OC(=O)C[C@H](CCN1CCCC(F)(F)C1)NC(=O)c1cc(-c2ncccc2C(F)(F)F)n(C2CCCC2)n1.CCOC(=O)c1cc(-c2ncccc2C(F)(F)F)n(C2CCCC2)n1.FC(F)(F)c1cccnc1Br.O=C(O)C[C@H](CCN1CCCC(F)(F)C1)NC(=O)c1cc(-c2ncccc2C(F)(F)F)n(C2CCCC2)n1.O=C(O)c1cc(-c2ncccc2C(F)(F)F)n(C2CCCC2)n1.

What is the InChIKey of 2-bromo-3-(trifluoromethyl)pyridine;tert-butyl (3S)-3-[[1-cyclopentyl-5-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carbonyl]amino]-5-(3,3-difluoropiperidin-1-yl)pentanoate;(3S)-3-[[1-cyclopentyl-5-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carbonyl]amino]-5-(3,3-difluoropiperidin-1-yl)pentanoic acid;1-cyclopentyl-5-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxylic acid;ethyl 1-cyclopentyl-5-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxylate?

The InChIKey is RLPGHOHNLOPMSR-ANEHZMNMSA-N. The full InChI is InChI=1S/C29H38F5N5O3.C25H30F5N5O3.C17H18F3N3O2.C15H14F3N3O2.C6H3BrF3N/c1-27(2,3)42-24(40)16-19(11-15-38-14-7-12-28(30,31)18-38)36-26(41)22-17-23(39(37-22)20-8-4-5-9-20)25-21(29(32,33)34)10-6-13-35-25;26-24(27)9-4-11-34(15-24)12-8-16(13-21(36)37)32-23(38)19-14-20(35(33-19)17-5-1-2-6-17)22-18(25(28,29)30)7-3-10-31-22;1-2-25-16(24)13-10-14(23(22-13)11-6-3-4-7-11)15-12(17(18,19)20)8-5-9-21-15;16-15(17,18)10-6-3-7-19-13(10)12-8-11(14(22)23)20-21(12)9-4-1-2-5-9;7-5-4(6(8,9)10)2-1-3-11-5/h6,10,13,17,19-20H,4-5,7-9,11-12,14-16,18H2,1-3H3,(H,36,41);3,7,10,14,16-17H,1-2,4-6,8-9,11-13,15H2,(H,32,38)(H,36,37);5,8-11H,2-4,6-7H2,1H3;3,6-9H,1-2,4-5H2,(H,22,23);1-3H/t19-;16-;;;/m00.../s1.

What are the key properties of 2-bromo-3-(trifluoromethyl)pyridine;tert-butyl (3S)-3-[[1-cyclopentyl-5-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carbonyl]amino]-5-(3,3-difluoropiperidin-1-yl)pentanoate;(3S)-3-[[1-cyclopentyl-5-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carbonyl]amino]-5-(3,3-difluoropiperidin-1-yl)pentanoic acid;1-cyclopentyl-5-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxylic acid;ethyl 1-cyclopentyl-5-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxylate?

2-bromo-3-(trifluoromethyl)pyridine;tert-butyl (3S)-3-[[1-cyclopentyl-5-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carbonyl]amino]-5-(3,3-difluoropiperidin-1-yl)pentanoate;(3S)-3-[[1-cyclopentyl-5-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carbonyl]amino]-5-(3,3-difluoropiperidin-1-yl)pentanoic acid;1-cyclopentyl-5-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxylic acid;ethyl 1-cyclopentyl-5-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxylate has a molecular weight of 2047.81 g/mol, XLogP of 21.70, 25 rotatable bonds, 4 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromo-3-(trifluoromethyl)pyridine;tert-butyl (3S)-3-[[1-cyclopentyl-5-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carbonyl]amino]-5-(3,3-difluoropiperidin-1-yl)pentanoate;(3S)-3-[[1-cyclopentyl-5-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carbonyl]amino]-5-(3,3-difluoropiperidin-1-yl)pentanoic acid;1-cyclopentyl-5-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxylic acid;ethyl 1-cyclopentyl-5-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxylate is sourced from PubChem (CID 160660418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).