5-[[[3-[2-chloro-3-[2-chloro-3-[5-[(3,3-difluoroazetidin-1-yl)methyl]-6-methoxypyrazin-2-yl]phenyl]phenyl]-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]amino]methyl]pyrrolidin-2-one

C35H34Cl2F2N6O3 — CID 167374368

About 5-[[[3-[2-chloro-3-[2-chloro-3-[5-[(3,3-difluoroazetidin-1-yl)methyl]-6-methoxypyrazin-2-yl]phenyl]phenyl]-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]amino]methyl]pyrrolidin-2-one

5-[[[3-[2-chloro-3-[2-chloro-3-[5-[(3,3-difluoroazetidin-1-yl)methyl]-6-methoxypyrazin-2-yl]phenyl]phenyl]-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]amino]methyl]pyrrolidin-2-one (PubChem CID 167374368) has the molecular formula C35H34Cl2F2N6O3 and a molecular weight of 695.60 g/mol. Its IUPAC name is 5-[[[3-[2-chloro-3-[2-chloro-3-[5-[(3,3-difluoroazetidin-1-yl)methyl]-6-methoxypyrazin-2-yl]phenyl]phenyl]-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]amino]methyl]pyrrolidin-2-one.

Molecular Properties

• Compound Name: 5-[[[3-[2-chloro-3-[2-chloro-3-[5-[(3,3-difluoroazetidin-1-yl)methyl]-6-methoxypyrazin-2-yl]phenyl]phenyl]-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]amino]methyl]pyrrolidin-2-one
• PubChem CID: 167374368
• Molecular Formula: C35H34Cl2F2N6O3
• Molecular Weight: 695.60 g/mol
• Exact Mass: 694.20
• IUPAC Name: 5-[[[3-[2-chloro-3-[2-chloro-3-[5-[(3,3-difluoroazetidin-1-yl)methyl]-6-methoxypyrazin-2-yl]phenyl]phenyl]-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]amino]methyl]pyrrolidin-2-one
• SMILES: COc1nc(-c2cccc(-c3cccc(-c4cc5c(c(OC)n4)C(NCC4CCC(=O)N4)CC5)c3Cl)c2Cl)cnc1CN1CC(F)(F)C1
• InChI: InChI=1S/C35H34Cl2F2N6O3/c1-47-33-28(16-45-17-35(38,39)18-45)41-15-27(44-33)24-8-4-6-22(32(24)37)21-5-3-7-23(31(21)36)26-13-19-9-11-25(30(19)34(43-26)48-2)40-14-20-10-12-29(46)42-20/h3-8,13,15,20,25,40H,9-12,14,16-18H2,1-2H3,(H,42,46)
• InChIKey: MZZMIWIHTVYUQO-UHFFFAOYSA-N
• XLogP: 6.50
• TPSA: 101.50 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	695.60
LogP ≤ 5	6.50
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-[[[3-[2-chloro-3-[2-chloro-3-[5-[(3,3-difluoroazetidin-1-yl)methyl]-6-methoxypyrazin-2-yl]phenyl]phenyl]-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]amino]methyl]pyrrolidin-2-one?

The IUPAC name of 5-[[[3-[2-chloro-3-[2-chloro-3-[5-[(3,3-difluoroazetidin-1-yl)methyl]-6-methoxypyrazin-2-yl]phenyl]phenyl]-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]amino]methyl]pyrrolidin-2-one (CID 167374368) is 5-[[[3-[2-chloro-3-[2-chloro-3-[5-[(3,3-difluoroazetidin-1-yl)methyl]-6-methoxypyrazin-2-yl]phenyl]phenyl]-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]amino]methyl]pyrrolidin-2-one.

What is the SMILES notation for 5-[[[3-[2-chloro-3-[2-chloro-3-[5-[(3,3-difluoroazetidin-1-yl)methyl]-6-methoxypyrazin-2-yl]phenyl]phenyl]-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]amino]methyl]pyrrolidin-2-one?

The canonical SMILES for 5-[[[3-[2-chloro-3-[2-chloro-3-[5-[(3,3-difluoroazetidin-1-yl)methyl]-6-methoxypyrazin-2-yl]phenyl]phenyl]-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]amino]methyl]pyrrolidin-2-one is COc1nc(-c2cccc(-c3cccc(-c4cc5c(c(OC)n4)C(NCC4CCC(=O)N4)CC5)c3Cl)c2Cl)cnc1CN1CC(F)(F)C1.

What is the InChIKey of 5-[[[3-[2-chloro-3-[2-chloro-3-[5-[(3,3-difluoroazetidin-1-yl)methyl]-6-methoxypyrazin-2-yl]phenyl]phenyl]-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]amino]methyl]pyrrolidin-2-one?

The InChIKey is MZZMIWIHTVYUQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H34Cl2F2N6O3/c1-47-33-28(16-45-17-35(38,39)18-45)41-15-27(44-33)24-8-4-6-22(32(24)37)21-5-3-7-23(31(21)36)26-13-19-9-11-25(30(19)34(43-26)48-2)40-14-20-10-12-29(46)42-20/h3-8,13,15,20,25,40H,9-12,14,16-18H2,1-2H3,(H,42,46).

What are the key properties of 5-[[[3-[2-chloro-3-[2-chloro-3-[5-[(3,3-difluoroazetidin-1-yl)methyl]-6-methoxypyrazin-2-yl]phenyl]phenyl]-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]amino]methyl]pyrrolidin-2-one?

5-[[[3-[2-chloro-3-[2-chloro-3-[5-[(3,3-difluoroazetidin-1-yl)methyl]-6-methoxypyrazin-2-yl]phenyl]phenyl]-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]amino]methyl]pyrrolidin-2-one has a molecular weight of 695.60 g/mol, XLogP of 6.50, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[[3-[2-chloro-3-[2-chloro-3-[5-[(3,3-difluoroazetidin-1-yl)methyl]-6-methoxypyrazin-2-yl]phenyl]phenyl]-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]amino]methyl]pyrrolidin-2-one is sourced from PubChem (CID 167374368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).