2-[(7R)-3-[2-chloro-3-[2-chloro-3-[(3-methyl-4-oxopyrido[3,4-d]pyridazin-5-yl)amino]phenyl]phenyl]-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]-5-oxa-2,8-diazaspiro[3.5]nonan-7-one

C35H31Cl2N7O4 — CID 177215496

About 2-[(7R)-3-[2-chloro-3-[2-chloro-3-[(3-methyl-4-oxopyrido[3,4-d]pyridazin-5-yl)amino]phenyl]phenyl]-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]-5-oxa-2,8-diazaspiro[3.5]nonan-7-one

2-[(7R)-3-[2-chloro-3-[2-chloro-3-[(3-methyl-4-oxopyrido[3,4-d]pyridazin-5-yl)amino]phenyl]phenyl]-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]-5-oxa-2,8-diazaspiro[3.5]nonan-7-one (PubChem CID 177215496) has the molecular formula C35H31Cl2N7O4 and a molecular weight of 684.58 g/mol. Its IUPAC name is 2-[(7R)-3-[2-chloro-3-[2-chloro-3-[(3-methyl-4-oxopyrido[3,4-d]pyridazin-5-yl)amino]phenyl]phenyl]-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]-5-oxa-2,8-diazaspiro[3.5]nonan-7-one.

Molecular Properties

• Compound Name: 2-[(7R)-3-[2-chloro-3-[2-chloro-3-[(3-methyl-4-oxopyrido[3,4-d]pyridazin-5-yl)amino]phenyl]phenyl]-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]-5-oxa-2,8-diazaspiro[3.5]nonan-7-one
• PubChem CID: 177215496
• Molecular Formula: C35H31Cl2N7O4
• Molecular Weight: 684.58 g/mol
• Exact Mass: 683.18
• IUPAC Name: 2-[(7R)-3-[2-chloro-3-[2-chloro-3-[(3-methyl-4-oxopyrido[3,4-d]pyridazin-5-yl)amino]phenyl]phenyl]-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]-5-oxa-2,8-diazaspiro[3.5]nonan-7-one
• SMILES: COc1nc(-c2cccc(-c3cccc(Nc4nccc5cnn(C)c(=O)c45)c3Cl)c2Cl)cc2c1[C@H](N1CC3(CNC(=O)CO3)C1)CC2
• InChI: InChI=1S/C35H31Cl2N7O4/c1-43-34(46)29-20(14-40-43)11-12-38-32(29)41-24-8-4-6-22(31(24)37)21-5-3-7-23(30(21)36)25-13-19-9-10-26(28(19)33(42-25)47-2)44-17-35(18-44)16-39-27(45)15-48-35/h3-8,11-14,26H,9-10,15-18H2,1-2H3,(H,38,41)(H,39,45)/t26-/m1/s1
• InChIKey: TWOOWWQJRHAXRW-AREMUKBSSA-N
• XLogP: 5.30
• TPSA: 123.50 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	684.58
LogP ≤ 5	5.30
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 2-[(7R)-3-[2-chloro-3-[2-chloro-3-[(3-methyl-4-oxopyrido[3,4-d]pyridazin-5-yl)amino]phenyl]phenyl]-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]-5-oxa-2,8-diazaspiro[3.5]nonan-7-one?

The IUPAC name of 2-[(7R)-3-[2-chloro-3-[2-chloro-3-[(3-methyl-4-oxopyrido[3,4-d]pyridazin-5-yl)amino]phenyl]phenyl]-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]-5-oxa-2,8-diazaspiro[3.5]nonan-7-one (CID 177215496) is 2-[(7R)-3-[2-chloro-3-[2-chloro-3-[(3-methyl-4-oxopyrido[3,4-d]pyridazin-5-yl)amino]phenyl]phenyl]-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]-5-oxa-2,8-diazaspiro[3.5]nonan-7-one.

What is the SMILES notation for 2-[(7R)-3-[2-chloro-3-[2-chloro-3-[(3-methyl-4-oxopyrido[3,4-d]pyridazin-5-yl)amino]phenyl]phenyl]-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]-5-oxa-2,8-diazaspiro[3.5]nonan-7-one?

The canonical SMILES for 2-[(7R)-3-[2-chloro-3-[2-chloro-3-[(3-methyl-4-oxopyrido[3,4-d]pyridazin-5-yl)amino]phenyl]phenyl]-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]-5-oxa-2,8-diazaspiro[3.5]nonan-7-one is COc1nc(-c2cccc(-c3cccc(Nc4nccc5cnn(C)c(=O)c45)c3Cl)c2Cl)cc2c1[C@H](N1CC3(CNC(=O)CO3)C1)CC2.

What is the InChIKey of 2-[(7R)-3-[2-chloro-3-[2-chloro-3-[(3-methyl-4-oxopyrido[3,4-d]pyridazin-5-yl)amino]phenyl]phenyl]-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]-5-oxa-2,8-diazaspiro[3.5]nonan-7-one?

The InChIKey is TWOOWWQJRHAXRW-AREMUKBSSA-N. The full InChI is InChI=1S/C35H31Cl2N7O4/c1-43-34(46)29-20(14-40-43)11-12-38-32(29)41-24-8-4-6-22(31(24)37)21-5-3-7-23(30(21)36)25-13-19-9-10-26(28(19)33(42-25)47-2)44-17-35(18-44)16-39-27(45)15-48-35/h3-8,11-14,26H,9-10,15-18H2,1-2H3,(H,38,41)(H,39,45)/t26-/m1/s1.

What are the key properties of 2-[(7R)-3-[2-chloro-3-[2-chloro-3-[(3-methyl-4-oxopyrido[3,4-d]pyridazin-5-yl)amino]phenyl]phenyl]-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]-5-oxa-2,8-diazaspiro[3.5]nonan-7-one?

2-[(7R)-3-[2-chloro-3-[2-chloro-3-[(3-methyl-4-oxopyrido[3,4-d]pyridazin-5-yl)amino]phenyl]phenyl]-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]-5-oxa-2,8-diazaspiro[3.5]nonan-7-one has a molecular weight of 684.58 g/mol, XLogP of 5.30, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(7R)-3-[2-chloro-3-[2-chloro-3-[(3-methyl-4-oxopyrido[3,4-d]pyridazin-5-yl)amino]phenyl]phenyl]-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]-5-oxa-2,8-diazaspiro[3.5]nonan-7-one is sourced from PubChem (CID 177215496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).