2-[[4-[2-[(4-chloro-2-fluorophenyl)methoxy]-3-pyridinyl]-2-[2-[[2-[[4-[2-[(4-chloro-2-fluorophenyl)methoxy]-3-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-5-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzimidazol-1-yl]methyl]oxetan-3-yl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-3-(oxetan-2-ylmethyl)-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[4,5-b]pyridine

C63H53Cl2F8N15O4 — CID 167010352

About 2-[[4-[2-[(4-chloro-2-fluorophenyl)methoxy]-3-pyridinyl]-2-[2-[[2-[[4-[2-[(4-chloro-2-fluorophenyl)methoxy]-3-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-5-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzimidazol-1-yl]methyl]oxetan-3-yl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-3-(oxetan-2-ylmethyl)-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[4,5-b]pyridine

2-[[4-[2-[(4-chloro-2-fluorophenyl)methoxy]-3-pyridinyl]-2-[2-[[2-[[4-[2-[(4-chloro-2-fluorophenyl)methoxy]-3-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-5-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzimidazol-1-yl]methyl]oxetan-3-yl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-3-(oxetan-2-ylmethyl)-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[4,5-b]pyridine (PubChem CID 167010352) has the molecular formula C63H53Cl2F8N15O4 and a molecular weight of 1307.11 g/mol. Its IUPAC name is 2-[[4-[2-[(4-chloro-2-fluorophenyl)methoxy]-3-pyridinyl]-2-[2-[[2-[[4-[2-[(4-chloro-2-fluorophenyl)methoxy]-3-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-5-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzimidazol-1-yl]methyl]oxetan-3-yl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-3-(oxetan-2-ylmethyl)-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[4,5-b]pyridine.

Molecular Properties

• Compound Name: 2-[[4-[2-[(4-chloro-2-fluorophenyl)methoxy]-3-pyridinyl]-2-[2-[[2-[[4-[2-[(4-chloro-2-fluorophenyl)methoxy]-3-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-5-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzimidazol-1-yl]methyl]oxetan-3-yl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-3-(oxetan-2-ylmethyl)-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[4,5-b]pyridine
• PubChem CID: 167010352
• Molecular Formula: C63H53Cl2F8N15O4
• Molecular Weight: 1307.11 g/mol
• Exact Mass: 1305.37
• IUPAC Name: 2-[[4-[2-[(4-chloro-2-fluorophenyl)methoxy]-3-pyridinyl]-2-[2-[[2-[[4-[2-[(4-chloro-2-fluorophenyl)methoxy]-3-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-5-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzimidazol-1-yl]methyl]oxetan-3-yl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-3-(oxetan-2-ylmethyl)-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[4,5-b]pyridine
• SMILES: Fc1cc(Cl)ccc1COc1ncccc1C1=CCN(Cc2nc3cc(-c4n[nH]c(C(F)(F)F)n4)ccc3n2CC2OCC2C2CC(c3cccnc3OCc3ccc(Cl)cc3F)=CCN2Cc2nc3cc(-c4n[nH]c(C(F)(F)F)n4)cnc3n2CC2CCO2)CC1
• InChI: InChI=1S/C63H53Cl2F8N15O4/c64-40-8-5-37(46(66)24-40)31-91-58-43(3-1-15-74-58)34-11-17-85(18-12-34)29-53-77-48-21-36(55-79-60(83-81-55)62(68,69)70)7-10-50(48)87(53)28-52-45(33-90-52)51-23-35(44-4-2-16-75-59(44)92-32-38-6-9-41(65)25-47(38)67)13-19-86(51)30-54-78-49-22-39(56-80-61(84-82-56)63(71,72)73)26-76-57(49)88(54)27-42-14-20-89-42/h1-11,13,15-16,21-22,24-26,42,45,51-52H,12,14,17-20,23,27-33H2,(H,79,81,83)(H,80,82,84)
• InChIKey: HOYGUKNHUSZGRA-UHFFFAOYSA-N
• XLogP: 12.37
• TPSA: 200.85 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 17
• Rotatable Bonds: 19
• Heavy Atoms: 92
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1307.11
LogP ≤ 5	12.37
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[2-[(4-chloro-2-fluorophenyl)methoxy]-3-pyridinyl]-2-[2-[[2-[[4-[2-[(4-chloro-2-fluorophenyl)methoxy]-3-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-5-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzimidazol-1-yl]methyl]oxetan-3-yl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-3-(oxetan-2-ylmethyl)-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[4,5-b]pyridine?

The IUPAC name of 2-[[4-[2-[(4-chloro-2-fluorophenyl)methoxy]-3-pyridinyl]-2-[2-[[2-[[4-[2-[(4-chloro-2-fluorophenyl)methoxy]-3-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-5-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzimidazol-1-yl]methyl]oxetan-3-yl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-3-(oxetan-2-ylmethyl)-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[4,5-b]pyridine (CID 167010352) is 2-[[4-[2-[(4-chloro-2-fluorophenyl)methoxy]-3-pyridinyl]-2-[2-[[2-[[4-[2-[(4-chloro-2-fluorophenyl)methoxy]-3-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-5-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzimidazol-1-yl]methyl]oxetan-3-yl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-3-(oxetan-2-ylmethyl)-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[4,5-b]pyridine.

What is the SMILES notation for 2-[[4-[2-[(4-chloro-2-fluorophenyl)methoxy]-3-pyridinyl]-2-[2-[[2-[[4-[2-[(4-chloro-2-fluorophenyl)methoxy]-3-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-5-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzimidazol-1-yl]methyl]oxetan-3-yl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-3-(oxetan-2-ylmethyl)-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[4,5-b]pyridine?

The canonical SMILES for 2-[[4-[2-[(4-chloro-2-fluorophenyl)methoxy]-3-pyridinyl]-2-[2-[[2-[[4-[2-[(4-chloro-2-fluorophenyl)methoxy]-3-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-5-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzimidazol-1-yl]methyl]oxetan-3-yl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-3-(oxetan-2-ylmethyl)-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[4,5-b]pyridine is Fc1cc(Cl)ccc1COc1ncccc1C1=CCN(Cc2nc3cc(-c4n[nH]c(C(F)(F)F)n4)ccc3n2CC2OCC2C2CC(c3cccnc3OCc3ccc(Cl)cc3F)=CCN2Cc2nc3cc(-c4n[nH]c(C(F)(F)F)n4)cnc3n2CC2CCO2)CC1.

What is the InChIKey of 2-[[4-[2-[(4-chloro-2-fluorophenyl)methoxy]-3-pyridinyl]-2-[2-[[2-[[4-[2-[(4-chloro-2-fluorophenyl)methoxy]-3-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-5-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzimidazol-1-yl]methyl]oxetan-3-yl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-3-(oxetan-2-ylmethyl)-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[4,5-b]pyridine?

The InChIKey is HOYGUKNHUSZGRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H53Cl2F8N15O4/c64-40-8-5-37(46(66)24-40)31-91-58-43(3-1-15-74-58)34-11-17-85(18-12-34)29-53-77-48-21-36(55-79-60(83-81-55)62(68,69)70)7-10-50(48)87(53)28-52-45(33-90-52)51-23-35(44-4-2-16-75-59(44)92-32-38-6-9-41(65)25-47(38)67)13-19-86(51)30-54-78-49-22-39(56-80-61(84-82-56)63(71,72)73)26-76-57(49)88(54)27-42-14-20-89-42/h1-11,13,15-16,21-22,24-26,42,45,51-52H,12,14,17-20,23,27-33H2,(H,79,81,83)(H,80,82,84).

What are the key properties of 2-[[4-[2-[(4-chloro-2-fluorophenyl)methoxy]-3-pyridinyl]-2-[2-[[2-[[4-[2-[(4-chloro-2-fluorophenyl)methoxy]-3-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-5-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzimidazol-1-yl]methyl]oxetan-3-yl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-3-(oxetan-2-ylmethyl)-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[4,5-b]pyridine?

2-[[4-[2-[(4-chloro-2-fluorophenyl)methoxy]-3-pyridinyl]-2-[2-[[2-[[4-[2-[(4-chloro-2-fluorophenyl)methoxy]-3-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-5-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzimidazol-1-yl]methyl]oxetan-3-yl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-3-(oxetan-2-ylmethyl)-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[4,5-b]pyridine has a molecular weight of 1307.11 g/mol, XLogP of 12.37, 19 rotatable bonds, 2 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[4-[2-[(4-chloro-2-fluorophenyl)methoxy]-3-pyridinyl]-2-[2-[[2-[[4-[2-[(4-chloro-2-fluorophenyl)methoxy]-3-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-5-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzimidazol-1-yl]methyl]oxetan-3-yl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-3-(oxetan-2-ylmethyl)-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[4,5-b]pyridine is sourced from PubChem (CID 167010352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).