3-[3-[2-chloro-3-[7-(3-ethylazetidin-1-yl)-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]-2-fluorophenyl]-1-methoxy-7-(3-methoxyazetidin-1-yl)-6,7-dihydro-5H-cyclopenta[c]pyridine

C39H42ClFN4O3 — CID 170203665

About 3-[3-[2-chloro-3-[7-(3-ethylazetidin-1-yl)-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]-2-fluorophenyl]-1-methoxy-7-(3-methoxyazetidin-1-yl)-6,7-dihydro-5H-cyclopenta[c]pyridine

3-[3-[2-chloro-3-[7-(3-ethylazetidin-1-yl)-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]-2-fluorophenyl]-1-methoxy-7-(3-methoxyazetidin-1-yl)-6,7-dihydro-5H-cyclopenta[c]pyridine (PubChem CID 170203665) has the molecular formula C39H42ClFN4O3 and a molecular weight of 669.24 g/mol. Its IUPAC name is 3-[3-[2-chloro-3-[7-(3-ethylazetidin-1-yl)-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]-2-fluorophenyl]-1-methoxy-7-(3-methoxyazetidin-1-yl)-6,7-dihydro-5H-cyclopenta[c]pyridine.

Molecular Properties

• Compound Name: 3-[3-[2-chloro-3-[7-(3-ethylazetidin-1-yl)-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]-2-fluorophenyl]-1-methoxy-7-(3-methoxyazetidin-1-yl)-6,7-dihydro-5H-cyclopenta[c]pyridine
• PubChem CID: 170203665
• Molecular Formula: C39H42ClFN4O3
• Molecular Weight: 669.24 g/mol
• Exact Mass: 668.29
• IUPAC Name: 3-[3-[2-chloro-3-[7-(3-ethylazetidin-1-yl)-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]-2-fluorophenyl]-1-methoxy-7-(3-methoxyazetidin-1-yl)-6,7-dihydro-5H-cyclopenta[c]pyridine
• SMILES: CCC1CN(C2CCc3cc(-c4cccc(-c5cccc(-c6cc7c(c(OC)n6)C(N6CC(OC)C6)CC7)c5F)c4Cl)nc(OC)c32)C1
• InChI: InChI=1S/C39H42ClFN4O3/c1-5-22-18-44(19-22)32-14-12-23-16-30(42-38(47-3)34(23)32)28-10-6-8-26(36(28)40)27-9-7-11-29(37(27)41)31-17-24-13-15-33(35(24)39(43-31)48-4)45-20-25(21-45)46-2/h6-11,16-17,22,25,32-33H,5,12-15,18-21H2,1-4H3
• InChIKey: UCVVONIZKJYXKS-UHFFFAOYSA-N
• XLogP: 7.93
• TPSA: 59.95 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	669.24
LogP ≤ 5	7.93
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-[3-[2-chloro-3-[7-(3-ethylazetidin-1-yl)-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]-2-fluorophenyl]-1-methoxy-7-(3-methoxyazetidin-1-yl)-6,7-dihydro-5H-cyclopenta[c]pyridine?

The IUPAC name of 3-[3-[2-chloro-3-[7-(3-ethylazetidin-1-yl)-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]-2-fluorophenyl]-1-methoxy-7-(3-methoxyazetidin-1-yl)-6,7-dihydro-5H-cyclopenta[c]pyridine (CID 170203665) is 3-[3-[2-chloro-3-[7-(3-ethylazetidin-1-yl)-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]-2-fluorophenyl]-1-methoxy-7-(3-methoxyazetidin-1-yl)-6,7-dihydro-5H-cyclopenta[c]pyridine.

What is the SMILES notation for 3-[3-[2-chloro-3-[7-(3-ethylazetidin-1-yl)-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]-2-fluorophenyl]-1-methoxy-7-(3-methoxyazetidin-1-yl)-6,7-dihydro-5H-cyclopenta[c]pyridine?

The canonical SMILES for 3-[3-[2-chloro-3-[7-(3-ethylazetidin-1-yl)-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]-2-fluorophenyl]-1-methoxy-7-(3-methoxyazetidin-1-yl)-6,7-dihydro-5H-cyclopenta[c]pyridine is CCC1CN(C2CCc3cc(-c4cccc(-c5cccc(-c6cc7c(c(OC)n6)C(N6CC(OC)C6)CC7)c5F)c4Cl)nc(OC)c32)C1.

What is the InChIKey of 3-[3-[2-chloro-3-[7-(3-ethylazetidin-1-yl)-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]-2-fluorophenyl]-1-methoxy-7-(3-methoxyazetidin-1-yl)-6,7-dihydro-5H-cyclopenta[c]pyridine?

The InChIKey is UCVVONIZKJYXKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H42ClFN4O3/c1-5-22-18-44(19-22)32-14-12-23-16-30(42-38(47-3)34(23)32)28-10-6-8-26(36(28)40)27-9-7-11-29(37(27)41)31-17-24-13-15-33(35(24)39(43-31)48-4)45-20-25(21-45)46-2/h6-11,16-17,22,25,32-33H,5,12-15,18-21H2,1-4H3.

What are the key properties of 3-[3-[2-chloro-3-[7-(3-ethylazetidin-1-yl)-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]-2-fluorophenyl]-1-methoxy-7-(3-methoxyazetidin-1-yl)-6,7-dihydro-5H-cyclopenta[c]pyridine?

3-[3-[2-chloro-3-[7-(3-ethylazetidin-1-yl)-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]-2-fluorophenyl]-1-methoxy-7-(3-methoxyazetidin-1-yl)-6,7-dihydro-5H-cyclopenta[c]pyridine has a molecular weight of 669.24 g/mol, XLogP of 7.93, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-[2-chloro-3-[7-(3-ethylazetidin-1-yl)-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]-2-fluorophenyl]-1-methoxy-7-(3-methoxyazetidin-1-yl)-6,7-dihydro-5H-cyclopenta[c]pyridine is sourced from PubChem (CID 170203665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).