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

C39H41Cl2N5O3 — CID 170203613

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

(5S)-5-[[[(7R)-3-[2-chloro-3-[2-chloro-3-[(7R)-1-methoxy-7-(3-methylazetidin-1-yl)-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]phenyl]-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]amino]methyl]pyrrolidin-2-one (PubChem CID 170203613) has the molecular formula C39H41Cl2N5O3 and a molecular weight of 698.70 g/mol. Its IUPAC name is (5S)-5-[[[(7R)-3-[2-chloro-3-[2-chloro-3-[(7R)-1-methoxy-7-(3-methylazetidin-1-yl)-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]phenyl]-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]amino]methyl]pyrrolidin-2-one.

Molecular Properties

• Compound Name: (5S)-5-[[[(7R)-3-[2-chloro-3-[2-chloro-3-[(7R)-1-methoxy-7-(3-methylazetidin-1-yl)-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]phenyl]-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]amino]methyl]pyrrolidin-2-one
• PubChem CID: 170203613
• Molecular Formula: C39H41Cl2N5O3
• Molecular Weight: 698.70 g/mol
• Exact Mass: 697.26
• IUPAC Name: (5S)-5-[[[(7R)-3-[2-chloro-3-[2-chloro-3-[(7R)-1-methoxy-7-(3-methylazetidin-1-yl)-6,7-dihydro-5H-cyclopenta[c]pyridin-3-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@H](NC[C@@H]4CCC(=O)N4)CC5)c3Cl)c2Cl)cc2c1[C@H](N1CC(C)C1)CC2
• InChI: InChI=1S/C39H41Cl2N5O3/c1-21-19-46(20-21)32-14-11-23-17-31(45-39(49-3)35(23)32)28-9-5-7-26(37(28)41)25-6-4-8-27(36(25)40)30-16-22-10-13-29(34(22)38(44-30)48-2)42-18-24-12-15-33(47)43-24/h4-9,16-17,21,24,29,32,42H,10-15,18-20H2,1-3H3,(H,43,47)/t24-,29+,32+/m0/s1
• InChIKey: OYKVTAJVJKHSHO-RJVZZWLCSA-N
• XLogP: 7.60
• TPSA: 88.61 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	698.70
LogP ≤ 5	7.60
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of (5S)-5-[[[(7R)-3-[2-chloro-3-[2-chloro-3-[(7R)-1-methoxy-7-(3-methylazetidin-1-yl)-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]phenyl]-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]amino]methyl]pyrrolidin-2-one (CID 170203613) is (5S)-5-[[[(7R)-3-[2-chloro-3-[2-chloro-3-[(7R)-1-methoxy-7-(3-methylazetidin-1-yl)-6,7-dihydro-5H-cyclopenta[c]pyridin-3-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 (5S)-5-[[[(7R)-3-[2-chloro-3-[2-chloro-3-[(7R)-1-methoxy-7-(3-methylazetidin-1-yl)-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]phenyl]-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]amino]methyl]pyrrolidin-2-one?

The canonical SMILES for (5S)-5-[[[(7R)-3-[2-chloro-3-[2-chloro-3-[(7R)-1-methoxy-7-(3-methylazetidin-1-yl)-6,7-dihydro-5H-cyclopenta[c]pyridin-3-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@H](NC[C@@H]4CCC(=O)N4)CC5)c3Cl)c2Cl)cc2c1[C@H](N1CC(C)C1)CC2.

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

The InChIKey is OYKVTAJVJKHSHO-RJVZZWLCSA-N. The full InChI is InChI=1S/C39H41Cl2N5O3/c1-21-19-46(20-21)32-14-11-23-17-31(45-39(49-3)35(23)32)28-9-5-7-26(37(28)41)25-6-4-8-27(36(25)40)30-16-22-10-13-29(34(22)38(44-30)48-2)42-18-24-12-15-33(47)43-24/h4-9,16-17,21,24,29,32,42H,10-15,18-20H2,1-3H3,(H,43,47)/t24-,29+,32+/m0/s1.

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

(5S)-5-[[[(7R)-3-[2-chloro-3-[2-chloro-3-[(7R)-1-methoxy-7-(3-methylazetidin-1-yl)-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]phenyl]-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]amino]methyl]pyrrolidin-2-one has a molecular weight of 698.70 g/mol, XLogP of 7.60, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (5S)-5-[[[(7R)-3-[2-chloro-3-[2-chloro-3-[(7R)-1-methoxy-7-(3-methylazetidin-1-yl)-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]phenyl]-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]amino]methyl]pyrrolidin-2-one is sourced from PubChem (CID 170203613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).