(2S)-N-[4-chloro-3-(trifluoromethyl)phenyl]-7-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalene-2-carboxamide;(2R)-N-[4-chloro-3-(trifluoromethyl)phenyl]-7-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalene-2-carboxamide

C52H44Cl2F6N8O4 — CID 162178872

About (2S)-N-[4-chloro-3-(trifluoromethyl)phenyl]-7-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalene-2-carboxamide;(2R)-N-[4-chloro-3-(trifluoromethyl)phenyl]-7-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalene-2-carboxamide

(2S)-N-[4-chloro-3-(trifluoromethyl)phenyl]-7-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalene-2-carboxamide;(2R)-N-[4-chloro-3-(trifluoromethyl)phenyl]-7-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalene-2-carboxamide (PubChem CID 162178872) has the molecular formula C52H44Cl2F6N8O4 and a molecular weight of 1029.87 g/mol. Its IUPAC name is (2S)-N-[4-chloro-3-(trifluoromethyl)phenyl]-7-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalene-2-carboxamide;(2R)-N-[4-chloro-3-(trifluoromethyl)phenyl]-7-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalene-2-carboxamide.

Molecular Properties

• Compound Name: (2S)-N-[4-chloro-3-(trifluoromethyl)phenyl]-7-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalene-2-carboxamide;(2R)-N-[4-chloro-3-(trifluoromethyl)phenyl]-7-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
• PubChem CID: 162178872
• Molecular Formula: C52H44Cl2F6N8O4
• Molecular Weight: 1029.87 g/mol
• Exact Mass: 1028.28
• IUPAC Name: (2S)-N-[4-chloro-3-(trifluoromethyl)phenyl]-7-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalene-2-carboxamide;(2R)-N-[4-chloro-3-(trifluoromethyl)phenyl]-7-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
• SMILES: O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)[C@@H]1CCc2ccc(Oc3ccnc(C4=NCCN4)c3)cc2C1.O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)[C@H]1CCc2ccc(Oc3ccnc(C4=NCCN4)c3)cc2C1
• InChI: InChI=1S/2C26H22ClF3N4O2/c2*27-22-6-4-18(13-21(22)26(28,29)30)34-25(35)16-2-1-15-3-5-19(12-17(15)11-16)36-20-7-8-31-23(14-20)24-32-9-10-33-24/h2*3-8,12-14,16H,1-2,9-11H2,(H,32,33)(H,34,35)/t2*16-/m10/s1
• InChIKey: ZOTHSKAOXOYNFB-RRHAQCGESA-N
• XLogP: 11.28
• TPSA: 151.22 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1029.87
LogP ≤ 5	11.28
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[4-chloro-3-(trifluoromethyl)phenyl]-7-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalene-2-carboxamide;(2R)-N-[4-chloro-3-(trifluoromethyl)phenyl]-7-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalene-2-carboxamide?

The IUPAC name of (2S)-N-[4-chloro-3-(trifluoromethyl)phenyl]-7-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalene-2-carboxamide;(2R)-N-[4-chloro-3-(trifluoromethyl)phenyl]-7-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalene-2-carboxamide (CID 162178872) is (2S)-N-[4-chloro-3-(trifluoromethyl)phenyl]-7-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalene-2-carboxamide;(2R)-N-[4-chloro-3-(trifluoromethyl)phenyl]-7-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalene-2-carboxamide.

What is the SMILES notation for (2S)-N-[4-chloro-3-(trifluoromethyl)phenyl]-7-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalene-2-carboxamide;(2R)-N-[4-chloro-3-(trifluoromethyl)phenyl]-7-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalene-2-carboxamide?

The canonical SMILES for (2S)-N-[4-chloro-3-(trifluoromethyl)phenyl]-7-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalene-2-carboxamide;(2R)-N-[4-chloro-3-(trifluoromethyl)phenyl]-7-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalene-2-carboxamide is O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)[C@@H]1CCc2ccc(Oc3ccnc(C4=NCCN4)c3)cc2C1.O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)[C@H]1CCc2ccc(Oc3ccnc(C4=NCCN4)c3)cc2C1.

What is the InChIKey of (2S)-N-[4-chloro-3-(trifluoromethyl)phenyl]-7-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalene-2-carboxamide;(2R)-N-[4-chloro-3-(trifluoromethyl)phenyl]-7-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalene-2-carboxamide?

The InChIKey is ZOTHSKAOXOYNFB-RRHAQCGESA-N. The full InChI is InChI=1S/2C26H22ClF3N4O2/c2*27-22-6-4-18(13-21(22)26(28,29)30)34-25(35)16-2-1-15-3-5-19(12-17(15)11-16)36-20-7-8-31-23(14-20)24-32-9-10-33-24/h2*3-8,12-14,16H,1-2,9-11H2,(H,32,33)(H,34,35)/t2*16-/m10/s1.

What are the key properties of (2S)-N-[4-chloro-3-(trifluoromethyl)phenyl]-7-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalene-2-carboxamide;(2R)-N-[4-chloro-3-(trifluoromethyl)phenyl]-7-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalene-2-carboxamide?

(2S)-N-[4-chloro-3-(trifluoromethyl)phenyl]-7-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalene-2-carboxamide;(2R)-N-[4-chloro-3-(trifluoromethyl)phenyl]-7-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalene-2-carboxamide has a molecular weight of 1029.87 g/mol, XLogP of 11.28, 10 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-N-[4-chloro-3-(trifluoromethyl)phenyl]-7-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalene-2-carboxamide;(2R)-N-[4-chloro-3-(trifluoromethyl)phenyl]-7-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalene-2-carboxamide is sourced from PubChem (CID 162178872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).