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

C38H40Cl2N4O4 — CID 166561797

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

(7R)-3-[2-chloro-3-[2-chloro-3-[(7S)-1-methoxy-7-(3-methoxyazetidin-1-yl)-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]phenyl]-1-methoxy-7-(3-methoxyazetidin-1-yl)-6,7-dihydro-5H-cyclopenta[c]pyridine (PubChem CID 166561797) has the molecular formula C38H40Cl2N4O4 and a molecular weight of 687.67 g/mol. Its IUPAC name is (7R)-3-[2-chloro-3-[2-chloro-3-[(7S)-1-methoxy-7-(3-methoxyazetidin-1-yl)-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]phenyl]-1-methoxy-7-(3-methoxyazetidin-1-yl)-6,7-dihydro-5H-cyclopenta[c]pyridine.

Molecular Properties

• Compound Name: (7R)-3-[2-chloro-3-[2-chloro-3-[(7S)-1-methoxy-7-(3-methoxyazetidin-1-yl)-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]phenyl]-1-methoxy-7-(3-methoxyazetidin-1-yl)-6,7-dihydro-5H-cyclopenta[c]pyridine
• PubChem CID: 166561797
• Molecular Formula: C38H40Cl2N4O4
• Molecular Weight: 687.67 g/mol
• Exact Mass: 686.24
• IUPAC Name: (7R)-3-[2-chloro-3-[2-chloro-3-[(7S)-1-methoxy-7-(3-methoxyazetidin-1-yl)-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]phenyl]-1-methoxy-7-(3-methoxyazetidin-1-yl)-6,7-dihydro-5H-cyclopenta[c]pyridine
• SMILES: COc1nc(-c2cccc(-c3cccc(-c4cc5c(c(OC)n4)[C@@H](N4CC(OC)C4)CC5)c3Cl)c2Cl)cc2c1[C@H](N1CC(OC)C1)CC2
• InChI: InChI=1S/C38H40Cl2N4O4/c1-45-23-17-43(18-23)31-13-11-21-15-29(41-37(47-3)33(21)31)27-9-5-7-25(35(27)39)26-8-6-10-28(36(26)40)30-16-22-12-14-32(34(22)38(42-30)48-4)44-19-24(20-44)46-2/h5-10,15-16,23-24,31-32H,11-14,17-20H2,1-4H3/t31-,32+
• InChIKey: KYEULEZIGDOLEL-MEKGRNQZSA-N
• XLogP: 7.44
• TPSA: 69.18 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	687.67
LogP ≤ 5	7.44
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of (7R)-3-[2-chloro-3-[2-chloro-3-[(7S)-1-methoxy-7-(3-methoxyazetidin-1-yl)-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]phenyl]-1-methoxy-7-(3-methoxyazetidin-1-yl)-6,7-dihydro-5H-cyclopenta[c]pyridine (CID 166561797) is (7R)-3-[2-chloro-3-[2-chloro-3-[(7S)-1-methoxy-7-(3-methoxyazetidin-1-yl)-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]phenyl]-1-methoxy-7-(3-methoxyazetidin-1-yl)-6,7-dihydro-5H-cyclopenta[c]pyridine.

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

The canonical SMILES for (7R)-3-[2-chloro-3-[2-chloro-3-[(7S)-1-methoxy-7-(3-methoxyazetidin-1-yl)-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]phenyl]-1-methoxy-7-(3-methoxyazetidin-1-yl)-6,7-dihydro-5H-cyclopenta[c]pyridine is COc1nc(-c2cccc(-c3cccc(-c4cc5c(c(OC)n4)[C@@H](N4CC(OC)C4)CC5)c3Cl)c2Cl)cc2c1[C@H](N1CC(OC)C1)CC2.

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

The InChIKey is KYEULEZIGDOLEL-MEKGRNQZSA-N. The full InChI is InChI=1S/C38H40Cl2N4O4/c1-45-23-17-43(18-23)31-13-11-21-15-29(41-37(47-3)33(21)31)27-9-5-7-25(35(27)39)26-8-6-10-28(36(26)40)30-16-22-12-14-32(34(22)38(42-30)48-4)44-19-24(20-44)46-2/h5-10,15-16,23-24,31-32H,11-14,17-20H2,1-4H3/t31-,32+.

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

(7R)-3-[2-chloro-3-[2-chloro-3-[(7S)-1-methoxy-7-(3-methoxyazetidin-1-yl)-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]phenyl]-1-methoxy-7-(3-methoxyazetidin-1-yl)-6,7-dihydro-5H-cyclopenta[c]pyridine has a molecular weight of 687.67 g/mol, XLogP of 7.44, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (7R)-3-[2-chloro-3-[2-chloro-3-[(7S)-1-methoxy-7-(3-methoxyazetidin-1-yl)-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]phenyl]-1-methoxy-7-(3-methoxyazetidin-1-yl)-6,7-dihydro-5H-cyclopenta[c]pyridine is sourced from PubChem (CID 166561797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).