2-[(3S,4R)-4-[3-(3,5-difluorophenyl)-1-(2,2-dimethoxyethyl)pyrazol-5-yl]oxy-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyridine;2-[(3S,4R)-4-[1-(2,2-dimethoxyethyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyridine;2-[(3S,4S)-4-[1-(2,2-dimethoxyethyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyridine;(1S,5R)-8-[1-(2,2-dimethoxyethyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-3-[5-(trifluoromethyl)-2-pyridinyl]-3-azabicyclo[3.2.1]octane;2-[(3S,4S)-4-[1-(1,3-dioxolan-2-ylmethyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyridine

C106H121F29N20O15 — CID 159963320

About 2-[(3S,4R)-4-[3-(3,5-difluorophenyl)-1-(2,2-dimethoxyethyl)pyrazol-5-yl]oxy-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyridine;2-[(3S,4R)-4-[1-(2,2-dimethoxyethyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyridine;2-[(3S,4S)-4-[1-(2,2-dimethoxyethyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyridine;(1S,5R)-8-[1-(2,2-dimethoxyethyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-3-[5-(trifluoromethyl)-2-pyridinyl]-3-azabicyclo[3.2.1]octane;2-[(3S,4S)-4-[1-(1,3-dioxolan-2-ylmethyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyridine

2-[(3S,4R)-4-[3-(3,5-difluorophenyl)-1-(2,2-dimethoxyethyl)pyrazol-5-yl]oxy-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyridine;2-[(3S,4R)-4-[1-(2,2-dimethoxyethyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyridine;2-[(3S,4S)-4-[1-(2,2-dimethoxyethyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyridine;(1S,5R)-8-[1-(2,2-dimethoxyethyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-3-[5-(trifluoromethyl)-2-pyridinyl]-3-azabicyclo[3.2.1]octane;2-[(3S,4S)-4-[1-(1,3-dioxolan-2-ylmethyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyridine (PubChem CID 159963320) has the molecular formula C106H121F29N20O15 and a molecular weight of 2466.20 g/mol. Its IUPAC name is 2-[(3S,4R)-4-[3-(3,5-difluorophenyl)-1-(2,2-dimethoxyethyl)pyrazol-5-yl]oxy-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyridine;2-[(3S,4R)-4-[1-(2,2-dimethoxyethyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyridine;2-[(3S,4S)-4-[1-(2,2-dimethoxyethyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyridine;(1S,5R)-8-[1-(2,2-dimethoxyethyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-3-[5-(trifluoromethyl)-2-pyridinyl]-3-azabicyclo[3.2.1]octane;2-[(3S,4S)-4-[1-(1,3-dioxolan-2-ylmethyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyridine.

Molecular Properties

• Compound Name: 2-[(3S,4R)-4-[3-(3,5-difluorophenyl)-1-(2,2-dimethoxyethyl)pyrazol-5-yl]oxy-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyridine;2-[(3S,4R)-4-[1-(2,2-dimethoxyethyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyridine;2-[(3S,4S)-4-[1-(2,2-dimethoxyethyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyridine;(1S,5R)-8-[1-(2,2-dimethoxyethyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-3-[5-(trifluoromethyl)-2-pyridinyl]-3-azabicyclo[3.2.1]octane;2-[(3S,4S)-4-[1-(1,3-dioxolan-2-ylmethyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyridine
• PubChem CID: 159963320
• Molecular Formula: C106H121F29N20O15
• Molecular Weight: 2466.20 g/mol
• Exact Mass: 2464.89
• IUPAC Name: 2-[(3S,4R)-4-[3-(3,5-difluorophenyl)-1-(2,2-dimethoxyethyl)pyrazol-5-yl]oxy-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyridine;2-[(3S,4R)-4-[1-(2,2-dimethoxyethyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyridine;2-[(3S,4S)-4-[1-(2,2-dimethoxyethyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyridine;(1S,5R)-8-[1-(2,2-dimethoxyethyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-3-[5-(trifluoromethyl)-2-pyridinyl]-3-azabicyclo[3.2.1]octane;2-[(3S,4S)-4-[1-(1,3-dioxolan-2-ylmethyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyridine
• SMILES: COC(Cn1nc(-c2cc(F)cc(F)c2)cc1O[C@@H]1CCN(c2ccc(C(F)(F)F)cn2)C[C@@H]1C)OC.COC(Cn1nc(C(F)(F)F)cc1OC1[C@@H]2CC[C@H]1CN(c1ccc(C(F)(F)F)cn1)C2)OC.COC(Cn1nc(C(F)(F)F)cc1O[C@@H]1CCN(c2ccc(C(F)(F)F)cn2)C[C@@H]1C)OC.COC(Cn1nc(C(F)(F)F)cc1O[C@H]1CCN(c2ccc(C(F)(F)F)cn2)C[C@@H]1C)OC.C[C@H]1CN(c2ccc(C(F)(F)F)cn2)CC[C@@H]1Oc1cc(C(F)(F)F)nn1CC1OCCO1
• InChI: InChI=1S/C25H27F5N4O3.C21H24F6N4O3.C20H22F6N4O3.2C20H24F6N4O3/c1-15-13-33(22-5-4-17(12-31-22)25(28,29)30)7-6-21(15)37-23-11-20(16-8-18(26)10-19(27)9-16)32-34(23)14-24(35-2)36-3;1-32-18(33-2)11-31-17(7-15(29-31)21(25,26)27)34-19-12-3-4-13(19)10-30(9-12)16-6-5-14(8-28-16)20(22,23)24;1-12-10-29(16-3-2-13(9-27-16)19(21,22)23)5-4-14(12)33-17-8-15(20(24,25)26)28-30(17)11-18-31-6-7-32-18;2*1-12-10-29(16-5-4-13(9-27-16)19(21,22)23)7-6-14(12)33-17-8-15(20(24,25)26)28-30(17)11-18(31-2)32-3/h4-5,8-12,15,21,24H,6-7,13-14H2,1-3H3;5-8,12-13,18-19H,3-4,9-11H2,1-2H3;2-3,8-9,12,14,18H,4-7,10-11H2,1H3;2*4-5,8-9,12,14,18H,6-7,10-11H2,1-3H3/t15-,21+;12-,13+,19?;12-,14-;12-,14+;12-,14-/m0.000/s1
• InChIKey: ODPLSJSXIBFKIL-ABKJXZPNSA-N
• XLogP: 21.82
• TPSA: 308.20 Ų
• H-Bond Acceptors: 35
• Rotatable Bonds: 34
• Heavy Atoms: 170
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2466.20
LogP ≤ 5	21.82
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[(3S,4R)-4-[3-(3,5-difluorophenyl)-1-(2,2-dimethoxyethyl)pyrazol-5-yl]oxy-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyridine;2-[(3S,4R)-4-[1-(2,2-dimethoxyethyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyridine;2-[(3S,4S)-4-[1-(2,2-dimethoxyethyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyridine;(1S,5R)-8-[1-(2,2-dimethoxyethyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-3-[5-(trifluoromethyl)-2-pyridinyl]-3-azabicyclo[3.2.1]octane;2-[(3S,4S)-4-[1-(1,3-dioxolan-2-ylmethyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyridine?

The IUPAC name of 2-[(3S,4R)-4-[3-(3,5-difluorophenyl)-1-(2,2-dimethoxyethyl)pyrazol-5-yl]oxy-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyridine;2-[(3S,4R)-4-[1-(2,2-dimethoxyethyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyridine;2-[(3S,4S)-4-[1-(2,2-dimethoxyethyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyridine;(1S,5R)-8-[1-(2,2-dimethoxyethyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-3-[5-(trifluoromethyl)-2-pyridinyl]-3-azabicyclo[3.2.1]octane;2-[(3S,4S)-4-[1-(1,3-dioxolan-2-ylmethyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyridine (CID 159963320) is 2-[(3S,4R)-4-[3-(3,5-difluorophenyl)-1-(2,2-dimethoxyethyl)pyrazol-5-yl]oxy-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyridine;2-[(3S,4R)-4-[1-(2,2-dimethoxyethyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyridine;2-[(3S,4S)-4-[1-(2,2-dimethoxyethyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyridine;(1S,5R)-8-[1-(2,2-dimethoxyethyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-3-[5-(trifluoromethyl)-2-pyridinyl]-3-azabicyclo[3.2.1]octane;2-[(3S,4S)-4-[1-(1,3-dioxolan-2-ylmethyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyridine.

What is the SMILES notation for 2-[(3S,4R)-4-[3-(3,5-difluorophenyl)-1-(2,2-dimethoxyethyl)pyrazol-5-yl]oxy-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyridine;2-[(3S,4R)-4-[1-(2,2-dimethoxyethyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyridine;2-[(3S,4S)-4-[1-(2,2-dimethoxyethyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyridine;(1S,5R)-8-[1-(2,2-dimethoxyethyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-3-[5-(trifluoromethyl)-2-pyridinyl]-3-azabicyclo[3.2.1]octane;2-[(3S,4S)-4-[1-(1,3-dioxolan-2-ylmethyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyridine?

The canonical SMILES for 2-[(3S,4R)-4-[3-(3,5-difluorophenyl)-1-(2,2-dimethoxyethyl)pyrazol-5-yl]oxy-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyridine;2-[(3S,4R)-4-[1-(2,2-dimethoxyethyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyridine;2-[(3S,4S)-4-[1-(2,2-dimethoxyethyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyridine;(1S,5R)-8-[1-(2,2-dimethoxyethyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-3-[5-(trifluoromethyl)-2-pyridinyl]-3-azabicyclo[3.2.1]octane;2-[(3S,4S)-4-[1-(1,3-dioxolan-2-ylmethyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyridine is COC(Cn1nc(-c2cc(F)cc(F)c2)cc1O[C@@H]1CCN(c2ccc(C(F)(F)F)cn2)C[C@@H]1C)OC.COC(Cn1nc(C(F)(F)F)cc1OC1[C@@H]2CC[C@H]1CN(c1ccc(C(F)(F)F)cn1)C2)OC.COC(Cn1nc(C(F)(F)F)cc1O[C@@H]1CCN(c2ccc(C(F)(F)F)cn2)C[C@@H]1C)OC.COC(Cn1nc(C(F)(F)F)cc1O[C@H]1CCN(c2ccc(C(F)(F)F)cn2)C[C@@H]1C)OC.C[C@H]1CN(c2ccc(C(F)(F)F)cn2)CC[C@@H]1Oc1cc(C(F)(F)F)nn1CC1OCCO1.

What is the InChIKey of 2-[(3S,4R)-4-[3-(3,5-difluorophenyl)-1-(2,2-dimethoxyethyl)pyrazol-5-yl]oxy-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyridine;2-[(3S,4R)-4-[1-(2,2-dimethoxyethyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyridine;2-[(3S,4S)-4-[1-(2,2-dimethoxyethyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyridine;(1S,5R)-8-[1-(2,2-dimethoxyethyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-3-[5-(trifluoromethyl)-2-pyridinyl]-3-azabicyclo[3.2.1]octane;2-[(3S,4S)-4-[1-(1,3-dioxolan-2-ylmethyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyridine?

The InChIKey is ODPLSJSXIBFKIL-ABKJXZPNSA-N. The full InChI is InChI=1S/C25H27F5N4O3.C21H24F6N4O3.C20H22F6N4O3.2C20H24F6N4O3/c1-15-13-33(22-5-4-17(12-31-22)25(28,29)30)7-6-21(15)37-23-11-20(16-8-18(26)10-19(27)9-16)32-34(23)14-24(35-2)36-3;1-32-18(33-2)11-31-17(7-15(29-31)21(25,26)27)34-19-12-3-4-13(19)10-30(9-12)16-6-5-14(8-28-16)20(22,23)24;1-12-10-29(16-3-2-13(9-27-16)19(21,22)23)5-4-14(12)33-17-8-15(20(24,25)26)28-30(17)11-18-31-6-7-32-18;2*1-12-10-29(16-5-4-13(9-27-16)19(21,22)23)7-6-14(12)33-17-8-15(20(24,25)26)28-30(17)11-18(31-2)32-3/h4-5,8-12,15,21,24H,6-7,13-14H2,1-3H3;5-8,12-13,18-19H,3-4,9-11H2,1-2H3;2-3,8-9,12,14,18H,4-7,10-11H2,1H3;2*4-5,8-9,12,14,18H,6-7,10-11H2,1-3H3/t15-,21+;12-,13+,19?;12-,14-;12-,14+;12-,14-/m0.000/s1.

What are the key properties of 2-[(3S,4R)-4-[3-(3,5-difluorophenyl)-1-(2,2-dimethoxyethyl)pyrazol-5-yl]oxy-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyridine;2-[(3S,4R)-4-[1-(2,2-dimethoxyethyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyridine;2-[(3S,4S)-4-[1-(2,2-dimethoxyethyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyridine;(1S,5R)-8-[1-(2,2-dimethoxyethyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-3-[5-(trifluoromethyl)-2-pyridinyl]-3-azabicyclo[3.2.1]octane;2-[(3S,4S)-4-[1-(1,3-dioxolan-2-ylmethyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyridine?

2-[(3S,4R)-4-[3-(3,5-difluorophenyl)-1-(2,2-dimethoxyethyl)pyrazol-5-yl]oxy-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyridine;2-[(3S,4R)-4-[1-(2,2-dimethoxyethyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyridine;2-[(3S,4S)-4-[1-(2,2-dimethoxyethyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyridine;(1S,5R)-8-[1-(2,2-dimethoxyethyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-3-[5-(trifluoromethyl)-2-pyridinyl]-3-azabicyclo[3.2.1]octane;2-[(3S,4S)-4-[1-(1,3-dioxolan-2-ylmethyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyridine has a molecular weight of 2466.20 g/mol, XLogP of 21.82, 34 rotatable bonds, 0 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(3S,4R)-4-[3-(3,5-difluorophenyl)-1-(2,2-dimethoxyethyl)pyrazol-5-yl]oxy-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyridine;2-[(3S,4R)-4-[1-(2,2-dimethoxyethyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyridine;2-[(3S,4S)-4-[1-(2,2-dimethoxyethyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyridine;(1S,5R)-8-[1-(2,2-dimethoxyethyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-3-[5-(trifluoromethyl)-2-pyridinyl]-3-azabicyclo[3.2.1]octane;2-[(3S,4S)-4-[1-(1,3-dioxolan-2-ylmethyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 159963320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).