2-(bromomethyl)-1,3-dioxolane;2-[(3R,4R)-4-[3-(3,5-difluorophenyl)-1-(1,3-dioxolan-2-ylmethyl)pyrazol-5-yl]oxy-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyridine;2-[(3R,4R)-4-[5-(3,5-difluorophenyl)-1-(1,3-dioxolan-2-ylmethyl)pyrazol-3-yl]oxy-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyridine;2-[(3R,4R)-4-[[5-(3,5-difluorophenyl)-1H-pyrazol-3-yl]oxy]-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyridine

C₇₅H₇₆BrF₁₅N₁₂O₉ — CID 158629728

About 2-(bromomethyl)-1,3-dioxolane;2-[(3R,4R)-4-[3-(3,5-difluorophenyl)-1-(1,3-dioxolan-2-ylmethyl)pyrazol-5-yl]oxy-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyridine;2-[(3R,4R)-4-[5-(3,5-difluorophenyl)-1-(1,3-dioxolan-2-ylmethyl)pyrazol-3-yl]oxy-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyridine;2-[(3R,4R)-4-[[5-(3,5-difluorophenyl)-1H-pyrazol-3-yl]oxy]-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyridine

2-(bromomethyl)-1,3-dioxolane;2-[(3R,4R)-4-[3-(3,5-difluorophenyl)-1-(1,3-dioxolan-2-ylmethyl)pyrazol-5-yl]oxy-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyridine;2-[(3R,4R)-4-[5-(3,5-difluorophenyl)-1-(1,3-dioxolan-2-ylmethyl)pyrazol-3-yl]oxy-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyridine;2-[(3R,4R)-4-[[5-(3,5-difluorophenyl)-1H-pyrazol-3-yl]oxy]-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyridine (PubChem CID 158629728) has the molecular formula C₇₅H₇₆BrF₁₅N₁₂O₉ and a molecular weight of 1654.38 g/mol. Its IUPAC name is 2-(bromomethyl)-1,3-dioxolane;2-[(3R,4R)-4-[3-(3,5-difluorophenyl)-1-(1,3-dioxolan-2-ylmethyl)pyrazol-5-yl]oxy-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyridine;2-[(3R,4R)-4-[5-(3,5-difluorophenyl)-1-(1,3-dioxolan-2-ylmethyl)pyrazol-3-yl]oxy-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyridine;2-[(3R,4R)-4-[[5-(3,5-difluorophenyl)-1H-pyrazol-3-yl]oxy]-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyridine.

Molecular Properties

• Compound Name: 2-(bromomethyl)-1,3-dioxolane;2-[(3R,4R)-4-[3-(3,5-difluorophenyl)-1-(1,3-dioxolan-2-ylmethyl)pyrazol-5-yl]oxy-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyridine;2-[(3R,4R)-4-[5-(3,5-difluorophenyl)-1-(1,3-dioxolan-2-ylmethyl)pyrazol-3-yl]oxy-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyridine;2-[(3R,4R)-4-[[5-(3,5-difluorophenyl)-1H-pyrazol-3-yl]oxy]-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyridine
• PubChem CID: 158629728
• Molecular Formula: C₇₅H₇₆BrF₁₅N₁₂O₉
• Molecular Weight: 1654.38 g/mol
• Exact Mass: 1652.48
• IUPAC Name: 2-(bromomethyl)-1,3-dioxolane;2-[(3R,4R)-4-[3-(3,5-difluorophenyl)-1-(1,3-dioxolan-2-ylmethyl)pyrazol-5-yl]oxy-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyridine;2-[(3R,4R)-4-[5-(3,5-difluorophenyl)-1-(1,3-dioxolan-2-ylmethyl)pyrazol-3-yl]oxy-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyridine;2-[(3R,4R)-4-[[5-(3,5-difluorophenyl)-1H-pyrazol-3-yl]oxy]-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyridine
• SMILES: BrCC1OCCO1.C[C@@H]1CN(c2ccc(C(F)(F)F)cn2)CC[C@H]1Oc1cc(-c2cc(F)cc(F)c2)[nH]n1.C[C@@H]1CN(c2ccc(C(F)(F)F)cn2)CC[C@H]1Oc1cc(-c2cc(F)cc(F)c2)n(CC2OCCO2)n1.C[C@@H]1CN(c2ccc(C(F)(F)F)cn2)CC[C@H]1Oc1cc(-c2cc(F)cc(F)c2)nn1CC1OCCO1
• InChI: InChI=1S/2C25H25F5N4O3.C21H19F5N4O.C4H7BrO2/c1-15-13-33(22-3-2-17(12-31-22)25(28,29)30)5-4-21(15)37-23-11-20(16-8-18(26)10-19(27)9-16)34(32-23)14-24-35-6-7-36-24;1-15-13-33(22-3-2-17(12-31-22)25(28,29)30)5-4-21(15)37-23-11-20(16-8-18(26)10-19(27)9-16)32-34(23)14-24-35-6-7-36-24;1-12-11-30(19-3-2-14(10-27-19)21(24,25)26)5-4-18(12)31-20-9-17(28-29-20)13-6-15(22)8-16(23)7-13;5-3-4-6-1-2-7-4/h2*2-3,8-12,15,21,24H,4-7,13-14H2,1H3;2-3,6-10,12,18H,4-5,11H2,1H3,(H,28,29);4H,1-3H2/t2*15-,21-;12-,18-;/m111./s1
• InChIKey: HZAQRTFSQNUFNR-UTDJPSPVSA-N
• XLogP: 15.63
• TPSA: 195.78 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 20
• Rotatable Bonds: 17
• Heavy Atoms: 112
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1654.38
LogP ≤ 5	15.63
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-1,3-dioxolane;2-[(3R,4R)-4-[3-(3,5-difluorophenyl)-1-(1,3-dioxolan-2-ylmethyl)pyrazol-5-yl]oxy-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyridine;2-[(3R,4R)-4-[5-(3,5-difluorophenyl)-1-(1,3-dioxolan-2-ylmethyl)pyrazol-3-yl]oxy-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyridine;2-[(3R,4R)-4-[[5-(3,5-difluorophenyl)-1H-pyrazol-3-yl]oxy]-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyridine?

The IUPAC name of 2-(bromomethyl)-1,3-dioxolane;2-[(3R,4R)-4-[3-(3,5-difluorophenyl)-1-(1,3-dioxolan-2-ylmethyl)pyrazol-5-yl]oxy-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyridine;2-[(3R,4R)-4-[5-(3,5-difluorophenyl)-1-(1,3-dioxolan-2-ylmethyl)pyrazol-3-yl]oxy-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyridine;2-[(3R,4R)-4-[[5-(3,5-difluorophenyl)-1H-pyrazol-3-yl]oxy]-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyridine (CID 158629728) is 2-(bromomethyl)-1,3-dioxolane;2-[(3R,4R)-4-[3-(3,5-difluorophenyl)-1-(1,3-dioxolan-2-ylmethyl)pyrazol-5-yl]oxy-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyridine;2-[(3R,4R)-4-[5-(3,5-difluorophenyl)-1-(1,3-dioxolan-2-ylmethyl)pyrazol-3-yl]oxy-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyridine;2-[(3R,4R)-4-[[5-(3,5-difluorophenyl)-1H-pyrazol-3-yl]oxy]-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyridine.

What is the SMILES notation for 2-(bromomethyl)-1,3-dioxolane;2-[(3R,4R)-4-[3-(3,5-difluorophenyl)-1-(1,3-dioxolan-2-ylmethyl)pyrazol-5-yl]oxy-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyridine;2-[(3R,4R)-4-[5-(3,5-difluorophenyl)-1-(1,3-dioxolan-2-ylmethyl)pyrazol-3-yl]oxy-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyridine;2-[(3R,4R)-4-[[5-(3,5-difluorophenyl)-1H-pyrazol-3-yl]oxy]-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyridine?

The canonical SMILES for 2-(bromomethyl)-1,3-dioxolane;2-[(3R,4R)-4-[3-(3,5-difluorophenyl)-1-(1,3-dioxolan-2-ylmethyl)pyrazol-5-yl]oxy-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyridine;2-[(3R,4R)-4-[5-(3,5-difluorophenyl)-1-(1,3-dioxolan-2-ylmethyl)pyrazol-3-yl]oxy-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyridine;2-[(3R,4R)-4-[[5-(3,5-difluorophenyl)-1H-pyrazol-3-yl]oxy]-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyridine is BrCC1OCCO1.C[C@@H]1CN(c2ccc(C(F)(F)F)cn2)CC[C@H]1Oc1cc(-c2cc(F)cc(F)c2)[nH]n1.C[C@@H]1CN(c2ccc(C(F)(F)F)cn2)CC[C@H]1Oc1cc(-c2cc(F)cc(F)c2)n(CC2OCCO2)n1.C[C@@H]1CN(c2ccc(C(F)(F)F)cn2)CC[C@H]1Oc1cc(-c2cc(F)cc(F)c2)nn1CC1OCCO1.

What is the InChIKey of 2-(bromomethyl)-1,3-dioxolane;2-[(3R,4R)-4-[3-(3,5-difluorophenyl)-1-(1,3-dioxolan-2-ylmethyl)pyrazol-5-yl]oxy-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyridine;2-[(3R,4R)-4-[5-(3,5-difluorophenyl)-1-(1,3-dioxolan-2-ylmethyl)pyrazol-3-yl]oxy-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyridine;2-[(3R,4R)-4-[[5-(3,5-difluorophenyl)-1H-pyrazol-3-yl]oxy]-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyridine?

The InChIKey is HZAQRTFSQNUFNR-UTDJPSPVSA-N. The full InChI is InChI=1S/2C25H25F5N4O3.C21H19F5N4O.C4H7BrO2/c1-15-13-33(22-3-2-17(12-31-22)25(28,29)30)5-4-21(15)37-23-11-20(16-8-18(26)10-19(27)9-16)34(32-23)14-24-35-6-7-36-24;1-15-13-33(22-3-2-17(12-31-22)25(28,29)30)5-4-21(15)37-23-11-20(16-8-18(26)10-19(27)9-16)32-34(23)14-24-35-6-7-36-24;1-12-11-30(19-3-2-14(10-27-19)21(24,25)26)5-4-18(12)31-20-9-17(28-29-20)13-6-15(22)8-16(23)7-13;5-3-4-6-1-2-7-4/h2*2-3,8-12,15,21,24H,4-7,13-14H2,1H3;2-3,6-10,12,18H,4-5,11H2,1H3,(H,28,29);4H,1-3H2/t2*15-,21-;12-,18-;/m111./s1.

What are the key properties of 2-(bromomethyl)-1,3-dioxolane;2-[(3R,4R)-4-[3-(3,5-difluorophenyl)-1-(1,3-dioxolan-2-ylmethyl)pyrazol-5-yl]oxy-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyridine;2-[(3R,4R)-4-[5-(3,5-difluorophenyl)-1-(1,3-dioxolan-2-ylmethyl)pyrazol-3-yl]oxy-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyridine;2-[(3R,4R)-4-[[5-(3,5-difluorophenyl)-1H-pyrazol-3-yl]oxy]-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyridine?

2-(bromomethyl)-1,3-dioxolane;2-[(3R,4R)-4-[3-(3,5-difluorophenyl)-1-(1,3-dioxolan-2-ylmethyl)pyrazol-5-yl]oxy-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyridine;2-[(3R,4R)-4-[5-(3,5-difluorophenyl)-1-(1,3-dioxolan-2-ylmethyl)pyrazol-3-yl]oxy-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyridine;2-[(3R,4R)-4-[[5-(3,5-difluorophenyl)-1H-pyrazol-3-yl]oxy]-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyridine has a molecular weight of 1654.38 g/mol, XLogP of 15.63, 17 rotatable bonds, 1 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(bromomethyl)-1,3-dioxolane;2-[(3R,4R)-4-[3-(3,5-difluorophenyl)-1-(1,3-dioxolan-2-ylmethyl)pyrazol-5-yl]oxy-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyridine;2-[(3R,4R)-4-[5-(3,5-difluorophenyl)-1-(1,3-dioxolan-2-ylmethyl)pyrazol-3-yl]oxy-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyridine;2-[(3R,4R)-4-[[5-(3,5-difluorophenyl)-1H-pyrazol-3-yl]oxy]-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 158629728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 158629728 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.