5-chloro-4-[4-[4-[(3S)-3-ethyl-4-methyl-5-(trifluoromethyl)-3,4-dihydropyrazol-2-yl]phenoxy]-3-fluoropiperidin-1-yl]-2-methoxypyridine

C24H27ClF4N4O2 — CID 144629801

About 5-chloro-4-[4-[4-[(3S)-3-ethyl-4-methyl-5-(trifluoromethyl)-3,4-dihydropyrazol-2-yl]phenoxy]-3-fluoropiperidin-1-yl]-2-methoxypyridine

5-chloro-4-[4-[4-[(3S)-3-ethyl-4-methyl-5-(trifluoromethyl)-3,4-dihydropyrazol-2-yl]phenoxy]-3-fluoropiperidin-1-yl]-2-methoxypyridine (PubChem CID 144629801) has the molecular formula C24H27ClF4N4O2 and a molecular weight of 514.95 g/mol. Its IUPAC name is 5-chloro-4-[4-[4-[(3S)-3-ethyl-4-methyl-5-(trifluoromethyl)-3,4-dihydropyrazol-2-yl]phenoxy]-3-fluoropiperidin-1-yl]-2-methoxypyridine.

Molecular Properties

• Compound Name: 5-chloro-4-[4-[4-[(3S)-3-ethyl-4-methyl-5-(trifluoromethyl)-3,4-dihydropyrazol-2-yl]phenoxy]-3-fluoropiperidin-1-yl]-2-methoxypyridine
• PubChem CID: 144629801
• Molecular Formula: C24H27ClF4N4O2
• Molecular Weight: 514.95 g/mol
• Exact Mass: 514.18
• IUPAC Name: 5-chloro-4-[4-[4-[(3S)-3-ethyl-4-methyl-5-(trifluoromethyl)-3,4-dihydropyrazol-2-yl]phenoxy]-3-fluoropiperidin-1-yl]-2-methoxypyridine
• SMILES: CC[C@H]1C(C)C(C(F)(F)F)=NN1c1ccc(OC2CCN(c3cc(OC)ncc3Cl)CC2F)cc1
• InChI: InChI=1S/C24H27ClF4N4O2/c1-4-19-14(2)23(24(27,28)29)31-33(19)15-5-7-16(8-6-15)35-21-9-10-32(13-18(21)26)20-11-22(34-3)30-12-17(20)25/h5-8,11-12,14,18-19,21H,4,9-10,13H2,1-3H3/t14?,18?,19-,21?/m0/s1
• InChIKey: OZFLEKUWEVWOFS-XJLJUNMZSA-N
• XLogP: 5.89
• TPSA: 50.19 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	514.95
LogP ≤ 5	5.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[4-[4-[(3S)-3-ethyl-4-methyl-5-(trifluoromethyl)-3,4-dihydropyrazol-2-yl]phenoxy]-3-fluoropiperidin-1-yl]-2-methoxypyridine?

The IUPAC name of 5-chloro-4-[4-[4-[(3S)-3-ethyl-4-methyl-5-(trifluoromethyl)-3,4-dihydropyrazol-2-yl]phenoxy]-3-fluoropiperidin-1-yl]-2-methoxypyridine (CID 144629801) is 5-chloro-4-[4-[4-[(3S)-3-ethyl-4-methyl-5-(trifluoromethyl)-3,4-dihydropyrazol-2-yl]phenoxy]-3-fluoropiperidin-1-yl]-2-methoxypyridine.

What is the SMILES notation for 5-chloro-4-[4-[4-[(3S)-3-ethyl-4-methyl-5-(trifluoromethyl)-3,4-dihydropyrazol-2-yl]phenoxy]-3-fluoropiperidin-1-yl]-2-methoxypyridine?

The canonical SMILES for 5-chloro-4-[4-[4-[(3S)-3-ethyl-4-methyl-5-(trifluoromethyl)-3,4-dihydropyrazol-2-yl]phenoxy]-3-fluoropiperidin-1-yl]-2-methoxypyridine is CC[C@H]1C(C)C(C(F)(F)F)=NN1c1ccc(OC2CCN(c3cc(OC)ncc3Cl)CC2F)cc1.

What is the InChIKey of 5-chloro-4-[4-[4-[(3S)-3-ethyl-4-methyl-5-(trifluoromethyl)-3,4-dihydropyrazol-2-yl]phenoxy]-3-fluoropiperidin-1-yl]-2-methoxypyridine?

The InChIKey is OZFLEKUWEVWOFS-XJLJUNMZSA-N. The full InChI is InChI=1S/C24H27ClF4N4O2/c1-4-19-14(2)23(24(27,28)29)31-33(19)15-5-7-16(8-6-15)35-21-9-10-32(13-18(21)26)20-11-22(34-3)30-12-17(20)25/h5-8,11-12,14,18-19,21H,4,9-10,13H2,1-3H3/t14?,18?,19-,21?/m0/s1.

What are the key properties of 5-chloro-4-[4-[4-[(3S)-3-ethyl-4-methyl-5-(trifluoromethyl)-3,4-dihydropyrazol-2-yl]phenoxy]-3-fluoropiperidin-1-yl]-2-methoxypyridine?

5-chloro-4-[4-[4-[(3S)-3-ethyl-4-methyl-5-(trifluoromethyl)-3,4-dihydropyrazol-2-yl]phenoxy]-3-fluoropiperidin-1-yl]-2-methoxypyridine has a molecular weight of 514.95 g/mol, XLogP of 5.89, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-4-[4-[4-[(3S)-3-ethyl-4-methyl-5-(trifluoromethyl)-3,4-dihydropyrazol-2-yl]phenoxy]-3-fluoropiperidin-1-yl]-2-methoxypyridine is sourced from PubChem (CID 144629801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).