4-[1-[[7-fluoro-2-[7-fluoro-1-[[4-(4-fluorophenoxy)piperidin-1-yl]methyl]-2,3-dihydro-1H-inden-5-yl]-5-[6-methoxy-1-[(4-pyridin-4-yloxypiperidin-1-yl)methyl]-2,3-dihydro-1H-inden-2-yl]-2,3-dihydro-1H-inden-1-yl]methyl]piperidin-4-yl]oxypyridine

C62H68F3N5O4 — CID 134242853

About 4-[1-[[7-fluoro-2-[7-fluoro-1-[[4-(4-fluorophenoxy)piperidin-1-yl]methyl]-2,3-dihydro-1H-inden-5-yl]-5-[6-methoxy-1-[(4-pyridin-4-yloxypiperidin-1-yl)methyl]-2,3-dihydro-1H-inden-2-yl]-2,3-dihydro-1H-inden-1-yl]methyl]piperidin-4-yl]oxypyridine

4-[1-[[7-fluoro-2-[7-fluoro-1-[[4-(4-fluorophenoxy)piperidin-1-yl]methyl]-2,3-dihydro-1H-inden-5-yl]-5-[6-methoxy-1-[(4-pyridin-4-yloxypiperidin-1-yl)methyl]-2,3-dihydro-1H-inden-2-yl]-2,3-dihydro-1H-inden-1-yl]methyl]piperidin-4-yl]oxypyridine (PubChem CID 134242853) has the molecular formula C62H68F3N5O4 and a molecular weight of 1004.25 g/mol. Its IUPAC name is 4-[1-[[7-fluoro-2-[7-fluoro-1-[[4-(4-fluorophenoxy)piperidin-1-yl]methyl]-2,3-dihydro-1H-inden-5-yl]-5-[6-methoxy-1-[(4-pyridin-4-yloxypiperidin-1-yl)methyl]-2,3-dihydro-1H-inden-2-yl]-2,3-dihydro-1H-inden-1-yl]methyl]piperidin-4-yl]oxypyridine.

Molecular Properties

• Compound Name: 4-[1-[[7-fluoro-2-[7-fluoro-1-[[4-(4-fluorophenoxy)piperidin-1-yl]methyl]-2,3-dihydro-1H-inden-5-yl]-5-[6-methoxy-1-[(4-pyridin-4-yloxypiperidin-1-yl)methyl]-2,3-dihydro-1H-inden-2-yl]-2,3-dihydro-1H-inden-1-yl]methyl]piperidin-4-yl]oxypyridine
• PubChem CID: 134242853
• Molecular Formula: C62H68F3N5O4
• Molecular Weight: 1004.25 g/mol
• Exact Mass: 1003.52
• IUPAC Name: 4-[1-[[7-fluoro-2-[7-fluoro-1-[[4-(4-fluorophenoxy)piperidin-1-yl]methyl]-2,3-dihydro-1H-inden-5-yl]-5-[6-methoxy-1-[(4-pyridin-4-yloxypiperidin-1-yl)methyl]-2,3-dihydro-1H-inden-2-yl]-2,3-dihydro-1H-inden-1-yl]methyl]piperidin-4-yl]oxypyridine
• SMILES: COc1ccc2c(c1)C(CN1CCC(Oc3ccncc3)CC1)C(c1cc(F)c3c(c1)CC(c1cc(F)c4c(c1)CCC4CN1CCC(Oc4ccc(F)cc4)CC1)C3CN1CCC(Oc3ccncc3)CC1)C2
• InChI: InChI=1S/C62H68F3N5O4/c1-71-53-7-4-40-32-54(57(56(40)36-53)38-69-26-16-51(17-27-69)73-48-10-20-66-21-11-48)44-31-45-33-55(58(62(45)60(65)35-44)39-70-28-18-52(19-29-70)74-49-12-22-67-23-13-49)43-30-41-2-3-42(61(41)59(64)34-43)37-68-24-14-50(15-25-68)72-47-8-5-46(63)6-9-47/h4-13,20-23,30-31,34-36,42,50-52,54-55,57-58H,2-3,14-19,24-29,32-33,37-39H2,1H3
• InChIKey: PZCQGKYKQDRVTO-UHFFFAOYSA-N
• XLogP: 11.41
• TPSA: 72.42 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 15
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1004.25
LogP ≤ 5	11.41
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 4-[1-[[7-fluoro-2-[7-fluoro-1-[[4-(4-fluorophenoxy)piperidin-1-yl]methyl]-2,3-dihydro-1H-inden-5-yl]-5-[6-methoxy-1-[(4-pyridin-4-yloxypiperidin-1-yl)methyl]-2,3-dihydro-1H-inden-2-yl]-2,3-dihydro-1H-inden-1-yl]methyl]piperidin-4-yl]oxypyridine?

The IUPAC name of 4-[1-[[7-fluoro-2-[7-fluoro-1-[[4-(4-fluorophenoxy)piperidin-1-yl]methyl]-2,3-dihydro-1H-inden-5-yl]-5-[6-methoxy-1-[(4-pyridin-4-yloxypiperidin-1-yl)methyl]-2,3-dihydro-1H-inden-2-yl]-2,3-dihydro-1H-inden-1-yl]methyl]piperidin-4-yl]oxypyridine (CID 134242853) is 4-[1-[[7-fluoro-2-[7-fluoro-1-[[4-(4-fluorophenoxy)piperidin-1-yl]methyl]-2,3-dihydro-1H-inden-5-yl]-5-[6-methoxy-1-[(4-pyridin-4-yloxypiperidin-1-yl)methyl]-2,3-dihydro-1H-inden-2-yl]-2,3-dihydro-1H-inden-1-yl]methyl]piperidin-4-yl]oxypyridine.

What is the SMILES notation for 4-[1-[[7-fluoro-2-[7-fluoro-1-[[4-(4-fluorophenoxy)piperidin-1-yl]methyl]-2,3-dihydro-1H-inden-5-yl]-5-[6-methoxy-1-[(4-pyridin-4-yloxypiperidin-1-yl)methyl]-2,3-dihydro-1H-inden-2-yl]-2,3-dihydro-1H-inden-1-yl]methyl]piperidin-4-yl]oxypyridine?

The canonical SMILES for 4-[1-[[7-fluoro-2-[7-fluoro-1-[[4-(4-fluorophenoxy)piperidin-1-yl]methyl]-2,3-dihydro-1H-inden-5-yl]-5-[6-methoxy-1-[(4-pyridin-4-yloxypiperidin-1-yl)methyl]-2,3-dihydro-1H-inden-2-yl]-2,3-dihydro-1H-inden-1-yl]methyl]piperidin-4-yl]oxypyridine is COc1ccc2c(c1)C(CN1CCC(Oc3ccncc3)CC1)C(c1cc(F)c3c(c1)CC(c1cc(F)c4c(c1)CCC4CN1CCC(Oc4ccc(F)cc4)CC1)C3CN1CCC(Oc3ccncc3)CC1)C2.

What is the InChIKey of 4-[1-[[7-fluoro-2-[7-fluoro-1-[[4-(4-fluorophenoxy)piperidin-1-yl]methyl]-2,3-dihydro-1H-inden-5-yl]-5-[6-methoxy-1-[(4-pyridin-4-yloxypiperidin-1-yl)methyl]-2,3-dihydro-1H-inden-2-yl]-2,3-dihydro-1H-inden-1-yl]methyl]piperidin-4-yl]oxypyridine?

The InChIKey is PZCQGKYKQDRVTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H68F3N5O4/c1-71-53-7-4-40-32-54(57(56(40)36-53)38-69-26-16-51(17-27-69)73-48-10-20-66-21-11-48)44-31-45-33-55(58(62(45)60(65)35-44)39-70-28-18-52(19-29-70)74-49-12-22-67-23-13-49)43-30-41-2-3-42(61(41)59(64)34-43)37-68-24-14-50(15-25-68)72-47-8-5-46(63)6-9-47/h4-13,20-23,30-31,34-36,42,50-52,54-55,57-58H,2-3,14-19,24-29,32-33,37-39H2,1H3.

What are the key properties of 4-[1-[[7-fluoro-2-[7-fluoro-1-[[4-(4-fluorophenoxy)piperidin-1-yl]methyl]-2,3-dihydro-1H-inden-5-yl]-5-[6-methoxy-1-[(4-pyridin-4-yloxypiperidin-1-yl)methyl]-2,3-dihydro-1H-inden-2-yl]-2,3-dihydro-1H-inden-1-yl]methyl]piperidin-4-yl]oxypyridine?

4-[1-[[7-fluoro-2-[7-fluoro-1-[[4-(4-fluorophenoxy)piperidin-1-yl]methyl]-2,3-dihydro-1H-inden-5-yl]-5-[6-methoxy-1-[(4-pyridin-4-yloxypiperidin-1-yl)methyl]-2,3-dihydro-1H-inden-2-yl]-2,3-dihydro-1H-inden-1-yl]methyl]piperidin-4-yl]oxypyridine has a molecular weight of 1004.25 g/mol, XLogP of 11.41, 15 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[1-[[7-fluoro-2-[7-fluoro-1-[[4-(4-fluorophenoxy)piperidin-1-yl]methyl]-2,3-dihydro-1H-inden-5-yl]-5-[6-methoxy-1-[(4-pyridin-4-yloxypiperidin-1-yl)methyl]-2,3-dihydro-1H-inden-2-yl]-2,3-dihydro-1H-inden-1-yl]methyl]piperidin-4-yl]oxypyridine is sourced from PubChem (CID 134242853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).