5-[2-chloro-3-[2-chloro-3-[(7R)-1-methoxy-7-[3-(3-oxopropyl)pyrrolidin-3-id-1-yl]-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]anilino]-3-methylpyrido[3,4-d]pyridazin-4-one;manganese(2+)

C36H32Cl2MnN6O3 — CID 177215726

About 5-[2-chloro-3-[2-chloro-3-[(7R)-1-methoxy-7-[3-(3-oxopropyl)pyrrolidin-3-id-1-yl]-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]anilino]-3-methylpyrido[3,4-d]pyridazin-4-one;manganese(2+)

5-[2-chloro-3-[2-chloro-3-[(7R)-1-methoxy-7-[3-(3-oxopropyl)pyrrolidin-3-id-1-yl]-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]anilino]-3-methylpyrido[3,4-d]pyridazin-4-one;manganese(2+) (PubChem CID 177215726) has the molecular formula C36H32Cl2MnN6O3 and a molecular weight of 722.54 g/mol. Its IUPAC name is 5-[2-chloro-3-[2-chloro-3-[(7R)-1-methoxy-7-[3-(3-oxopropyl)pyrrolidin-3-id-1-yl]-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]anilino]-3-methylpyrido[3,4-d]pyridazin-4-one;manganese(2+).

Molecular Properties

• Compound Name: 5-[2-chloro-3-[2-chloro-3-[(7R)-1-methoxy-7-[3-(3-oxopropyl)pyrrolidin-3-id-1-yl]-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]anilino]-3-methylpyrido[3,4-d]pyridazin-4-one;manganese(2+)
• PubChem CID: 177215726
• Molecular Formula: C36H32Cl2MnN6O3
• Molecular Weight: 722.54 g/mol
• Exact Mass: 721.13
• IUPAC Name: 5-[2-chloro-3-[2-chloro-3-[(7R)-1-methoxy-7-[3-(3-oxopropyl)pyrrolidin-3-id-1-yl]-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]anilino]-3-methylpyrido[3,4-d]pyridazin-4-one;manganese(2+)
• SMILES: COc1nc(-c2cccc(-c3cccc(Nc4nccc5cnn(C)c(=O)c45)c3Cl)c2Cl)cc2c1[C@H](N1CC[C-](CC[C-]=O)C1)CC2.[Mn+2]
• InChI: InChI=1S/C36H32Cl2N6O3.Mn/c1-43-36(46)31-23(19-40-43)13-15-39-34(31)41-27-10-4-8-25(33(27)38)24-7-3-9-26(32(24)37)28-18-22-11-12-29(30(22)35(42-28)47-2)44-16-14-21(20-44)6-5-17-45;/h3-4,7-10,13,15,18-19,29H,5-6,11-12,14,16,20H2,1-2H3,(H,39,41);/q-2;+2/t29-;/m1./s1
• InChIKey: VTGMSQIVFPXGCB-XXIQNXCHSA-N
• XLogP: 7.27
• TPSA: 102.24 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	722.54
LogP ≤ 5	7.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[2-chloro-3-[2-chloro-3-[(7R)-1-methoxy-7-[3-(3-oxopropyl)pyrrolidin-3-id-1-yl]-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]anilino]-3-methylpyrido[3,4-d]pyridazin-4-one;manganese(2+)?

The IUPAC name of 5-[2-chloro-3-[2-chloro-3-[(7R)-1-methoxy-7-[3-(3-oxopropyl)pyrrolidin-3-id-1-yl]-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]anilino]-3-methylpyrido[3,4-d]pyridazin-4-one;manganese(2+) (CID 177215726) is 5-[2-chloro-3-[2-chloro-3-[(7R)-1-methoxy-7-[3-(3-oxopropyl)pyrrolidin-3-id-1-yl]-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]anilino]-3-methylpyrido[3,4-d]pyridazin-4-one;manganese(2+).

What is the SMILES notation for 5-[2-chloro-3-[2-chloro-3-[(7R)-1-methoxy-7-[3-(3-oxopropyl)pyrrolidin-3-id-1-yl]-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]anilino]-3-methylpyrido[3,4-d]pyridazin-4-one;manganese(2+)?

The canonical SMILES for 5-[2-chloro-3-[2-chloro-3-[(7R)-1-methoxy-7-[3-(3-oxopropyl)pyrrolidin-3-id-1-yl]-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]anilino]-3-methylpyrido[3,4-d]pyridazin-4-one;manganese(2+) is COc1nc(-c2cccc(-c3cccc(Nc4nccc5cnn(C)c(=O)c45)c3Cl)c2Cl)cc2c1[C@H](N1CC[C-](CC[C-]=O)C1)CC2.[Mn+2].

What is the InChIKey of 5-[2-chloro-3-[2-chloro-3-[(7R)-1-methoxy-7-[3-(3-oxopropyl)pyrrolidin-3-id-1-yl]-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]anilino]-3-methylpyrido[3,4-d]pyridazin-4-one;manganese(2+)?

The InChIKey is VTGMSQIVFPXGCB-XXIQNXCHSA-N. The full InChI is InChI=1S/C36H32Cl2N6O3.Mn/c1-43-36(46)31-23(19-40-43)13-15-39-34(31)41-27-10-4-8-25(33(27)38)24-7-3-9-26(32(24)37)28-18-22-11-12-29(30(22)35(42-28)47-2)44-16-14-21(20-44)6-5-17-45;/h3-4,7-10,13,15,18-19,29H,5-6,11-12,14,16,20H2,1-2H3,(H,39,41);/q-2;+2/t29-;/m1./s1.

What are the key properties of 5-[2-chloro-3-[2-chloro-3-[(7R)-1-methoxy-7-[3-(3-oxopropyl)pyrrolidin-3-id-1-yl]-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]anilino]-3-methylpyrido[3,4-d]pyridazin-4-one;manganese(2+)?

5-[2-chloro-3-[2-chloro-3-[(7R)-1-methoxy-7-[3-(3-oxopropyl)pyrrolidin-3-id-1-yl]-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]anilino]-3-methylpyrido[3,4-d]pyridazin-4-one;manganese(2+) has a molecular weight of 722.54 g/mol, XLogP of 7.27, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-chloro-3-[2-chloro-3-[(7R)-1-methoxy-7-[3-(3-oxopropyl)pyrrolidin-3-id-1-yl]-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]anilino]-3-methylpyrido[3,4-d]pyridazin-4-one;manganese(2+) is sourced from PubChem (CID 177215726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).