2-[2-[4-[1-(4-chloro-6-methyl-2-pyridinyl)piperidin-4-yl]oxyphenyl]-4-methyl-5-(trifluoromethyl)-3,4-dihydropyrazol-3-yl]acetic acid

C24H26ClF3N4O3 — CID 75203128

About 2-[2-[4-[1-(4-chloro-6-methyl-2-pyridinyl)piperidin-4-yl]oxyphenyl]-4-methyl-5-(trifluoromethyl)-3,4-dihydropyrazol-3-yl]acetic acid

2-[2-[4-[1-(4-chloro-6-methyl-2-pyridinyl)piperidin-4-yl]oxyphenyl]-4-methyl-5-(trifluoromethyl)-3,4-dihydropyrazol-3-yl]acetic acid (PubChem CID 75203128) has the molecular formula C24H26ClF3N4O3 and a molecular weight of 510.94 g/mol. Its IUPAC name is 2-[2-[4-[1-(4-chloro-6-methyl-2-pyridinyl)piperidin-4-yl]oxyphenyl]-4-methyl-5-(trifluoromethyl)-3,4-dihydropyrazol-3-yl]acetic acid.

Molecular Properties

• Compound Name: 2-[2-[4-[1-(4-chloro-6-methyl-2-pyridinyl)piperidin-4-yl]oxyphenyl]-4-methyl-5-(trifluoromethyl)-3,4-dihydropyrazol-3-yl]acetic acid
• PubChem CID: 75203128
• Molecular Formula: C24H26ClF3N4O3
• Molecular Weight: 510.94 g/mol
• Exact Mass: 510.16
• IUPAC Name: 2-[2-[4-[1-(4-chloro-6-methyl-2-pyridinyl)piperidin-4-yl]oxyphenyl]-4-methyl-5-(trifluoromethyl)-3,4-dihydropyrazol-3-yl]acetic acid
• SMILES: Cc1cc(Cl)cc(N2CCC(Oc3ccc(N4N=C(C(F)(F)F)C(C)C4CC(=O)O)cc3)CC2)n1
• InChI: InChI=1S/C24H26ClF3N4O3/c1-14-11-16(25)12-21(29-14)31-9-7-19(8-10-31)35-18-5-3-17(4-6-18)32-20(13-22(33)34)15(2)23(30-32)24(26,27)28/h3-6,11-12,15,19-20H,7-10,13H2,1-2H3,(H,33,34)
• InChIKey: MTAIIZXWRFIRFL-UHFFFAOYSA-N
• XLogP: 5.31
• TPSA: 78.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	510.94
LogP ≤ 5	5.31
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-[1-(4-chloro-6-methyl-2-pyridinyl)piperidin-4-yl]oxyphenyl]-4-methyl-5-(trifluoromethyl)-3,4-dihydropyrazol-3-yl]acetic acid?

The IUPAC name of 2-[2-[4-[1-(4-chloro-6-methyl-2-pyridinyl)piperidin-4-yl]oxyphenyl]-4-methyl-5-(trifluoromethyl)-3,4-dihydropyrazol-3-yl]acetic acid (CID 75203128) is 2-[2-[4-[1-(4-chloro-6-methyl-2-pyridinyl)piperidin-4-yl]oxyphenyl]-4-methyl-5-(trifluoromethyl)-3,4-dihydropyrazol-3-yl]acetic acid.

What is the SMILES notation for 2-[2-[4-[1-(4-chloro-6-methyl-2-pyridinyl)piperidin-4-yl]oxyphenyl]-4-methyl-5-(trifluoromethyl)-3,4-dihydropyrazol-3-yl]acetic acid?

The canonical SMILES for 2-[2-[4-[1-(4-chloro-6-methyl-2-pyridinyl)piperidin-4-yl]oxyphenyl]-4-methyl-5-(trifluoromethyl)-3,4-dihydropyrazol-3-yl]acetic acid is Cc1cc(Cl)cc(N2CCC(Oc3ccc(N4N=C(C(F)(F)F)C(C)C4CC(=O)O)cc3)CC2)n1.

What is the InChIKey of 2-[2-[4-[1-(4-chloro-6-methyl-2-pyridinyl)piperidin-4-yl]oxyphenyl]-4-methyl-5-(trifluoromethyl)-3,4-dihydropyrazol-3-yl]acetic acid?

The InChIKey is MTAIIZXWRFIRFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClF3N4O3/c1-14-11-16(25)12-21(29-14)31-9-7-19(8-10-31)35-18-5-3-17(4-6-18)32-20(13-22(33)34)15(2)23(30-32)24(26,27)28/h3-6,11-12,15,19-20H,7-10,13H2,1-2H3,(H,33,34).

What are the key properties of 2-[2-[4-[1-(4-chloro-6-methyl-2-pyridinyl)piperidin-4-yl]oxyphenyl]-4-methyl-5-(trifluoromethyl)-3,4-dihydropyrazol-3-yl]acetic acid?

2-[2-[4-[1-(4-chloro-6-methyl-2-pyridinyl)piperidin-4-yl]oxyphenyl]-4-methyl-5-(trifluoromethyl)-3,4-dihydropyrazol-3-yl]acetic acid has a molecular weight of 510.94 g/mol, XLogP of 5.31, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[4-[1-(4-chloro-6-methyl-2-pyridinyl)piperidin-4-yl]oxyphenyl]-4-methyl-5-(trifluoromethyl)-3,4-dihydropyrazol-3-yl]acetic acid is sourced from PubChem (CID 75203128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).