5-[3-[2-chloro-3-[1-methoxy-7-[3-[2-[2-methoxyethyl(oxomethyl)amino]ethyl]pyrrolidin-3-id-1-yl]-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]-2-methylanilino]-7-(difluoromethyl)-3-methylpyrido[3,4-d]pyridazin-4-one;manganese(2+)

C41H42ClF2MnN7O4 — CID 177216020

About 5-[3-[2-chloro-3-[1-methoxy-7-[3-[2-[2-methoxyethyl(oxomethyl)amino]ethyl]pyrrolidin-3-id-1-yl]-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]-2-methylanilino]-7-(difluoromethyl)-3-methylpyrido[3,4-d]pyridazin-4-one;manganese(2+)

5-[3-[2-chloro-3-[1-methoxy-7-[3-[2-[2-methoxyethyl(oxomethyl)amino]ethyl]pyrrolidin-3-id-1-yl]-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]-2-methylanilino]-7-(difluoromethyl)-3-methylpyrido[3,4-d]pyridazin-4-one;manganese(2+) (PubChem CID 177216020) has the molecular formula C41H42ClF2MnN7O4 and a molecular weight of 825.22 g/mol. Its IUPAC name is 5-[3-[2-chloro-3-[1-methoxy-7-[3-[2-[2-methoxyethyl(oxomethyl)amino]ethyl]pyrrolidin-3-id-1-yl]-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]-2-methylanilino]-7-(difluoromethyl)-3-methylpyrido[3,4-d]pyridazin-4-one;manganese(2+).

Molecular Properties

• Compound Name: 5-[3-[2-chloro-3-[1-methoxy-7-[3-[2-[2-methoxyethyl(oxomethyl)amino]ethyl]pyrrolidin-3-id-1-yl]-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]-2-methylanilino]-7-(difluoromethyl)-3-methylpyrido[3,4-d]pyridazin-4-one;manganese(2+)
• PubChem CID: 177216020
• Molecular Formula: C41H42ClF2MnN7O4
• Molecular Weight: 825.22 g/mol
• Exact Mass: 824.23
• IUPAC Name: 5-[3-[2-chloro-3-[1-methoxy-7-[3-[2-[2-methoxyethyl(oxomethyl)amino]ethyl]pyrrolidin-3-id-1-yl]-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]-2-methylanilino]-7-(difluoromethyl)-3-methylpyrido[3,4-d]pyridazin-4-one;manganese(2+)
• SMILES: COCCN([C-]=O)CC[C-]1CCN(C2CCc3cc(-c4cccc(-c5cccc(Nc6nc(C(F)F)cc7cnn(C)c(=O)c67)c5C)c4Cl)nc(OC)c32)C1.[Mn+2]
• InChI: InChI=1S/C41H42ClF2N7O4.Mn/c1-24-28(7-6-10-31(24)46-39-36-27(20-33(47-39)38(43)44)21-45-49(2)41(36)53)29-8-5-9-30(37(29)42)32-19-26-11-12-34(35(26)40(48-32)55-4)51-16-14-25(22-51)13-15-50(23-52)17-18-54-3;/h5-10,19-21,34,38H,11-18,22H2,1-4H3,(H,46,47);/q-2;+2
• InChIKey: AOSXJSLFRRYRIQ-UHFFFAOYSA-N
• XLogP: 7.38
• TPSA: 114.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 14
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	825.22
LogP ≤ 5	7.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 5-[3-[2-chloro-3-[1-methoxy-7-[3-[2-[2-methoxyethyl(oxomethyl)amino]ethyl]pyrrolidin-3-id-1-yl]-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]-2-methylanilino]-7-(difluoromethyl)-3-methylpyrido[3,4-d]pyridazin-4-one;manganese(2+) (CID 177216020) is 5-[3-[2-chloro-3-[1-methoxy-7-[3-[2-[2-methoxyethyl(oxomethyl)amino]ethyl]pyrrolidin-3-id-1-yl]-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]-2-methylanilino]-7-(difluoromethyl)-3-methylpyrido[3,4-d]pyridazin-4-one;manganese(2+).

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

The canonical SMILES for 5-[3-[2-chloro-3-[1-methoxy-7-[3-[2-[2-methoxyethyl(oxomethyl)amino]ethyl]pyrrolidin-3-id-1-yl]-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]-2-methylanilino]-7-(difluoromethyl)-3-methylpyrido[3,4-d]pyridazin-4-one;manganese(2+) is COCCN([C-]=O)CC[C-]1CCN(C2CCc3cc(-c4cccc(-c5cccc(Nc6nc(C(F)F)cc7cnn(C)c(=O)c67)c5C)c4Cl)nc(OC)c32)C1.[Mn+2].

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

The InChIKey is AOSXJSLFRRYRIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H42ClF2N7O4.Mn/c1-24-28(7-6-10-31(24)46-39-36-27(20-33(47-39)38(43)44)21-45-49(2)41(36)53)29-8-5-9-30(37(29)42)32-19-26-11-12-34(35(26)40(48-32)55-4)51-16-14-25(22-51)13-15-50(23-52)17-18-54-3;/h5-10,19-21,34,38H,11-18,22H2,1-4H3,(H,46,47);/q-2;+2.

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

5-[3-[2-chloro-3-[1-methoxy-7-[3-[2-[2-methoxyethyl(oxomethyl)amino]ethyl]pyrrolidin-3-id-1-yl]-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]-2-methylanilino]-7-(difluoromethyl)-3-methylpyrido[3,4-d]pyridazin-4-one;manganese(2+) has a molecular weight of 825.22 g/mol, XLogP of 7.38, 14 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-[2-chloro-3-[1-methoxy-7-[3-[2-[2-methoxyethyl(oxomethyl)amino]ethyl]pyrrolidin-3-id-1-yl]-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]-2-methylanilino]-7-(difluoromethyl)-3-methylpyrido[3,4-d]pyridazin-4-one;manganese(2+) is sourced from PubChem (CID 177216020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).