5-[2-chloro-3-[2-chloro-3-[(7S)-1-methoxy-7-[3-(3-oxopropyl)pyrrolidin-3-id-1-yl]-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]anilino]-1,3,7-trimethylpyrimido[4,5-d]pyrimidine-2,4-dione;manganese(2+)

C37H35Cl2MnN7O4 — CID 177216146

About 5-[2-chloro-3-[2-chloro-3-[(7S)-1-methoxy-7-[3-(3-oxopropyl)pyrrolidin-3-id-1-yl]-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]anilino]-1,3,7-trimethylpyrimido[4,5-d]pyrimidine-2,4-dione;manganese(2+)

5-[2-chloro-3-[2-chloro-3-[(7S)-1-methoxy-7-[3-(3-oxopropyl)pyrrolidin-3-id-1-yl]-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]anilino]-1,3,7-trimethylpyrimido[4,5-d]pyrimidine-2,4-dione;manganese(2+) (PubChem CID 177216146) has the molecular formula C37H35Cl2MnN7O4 and a molecular weight of 767.58 g/mol. Its IUPAC name is 5-[2-chloro-3-[2-chloro-3-[(7S)-1-methoxy-7-[3-(3-oxopropyl)pyrrolidin-3-id-1-yl]-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]anilino]-1,3,7-trimethylpyrimido[4,5-d]pyrimidine-2,4-dione;manganese(2+).

Molecular Properties

• Compound Name: 5-[2-chloro-3-[2-chloro-3-[(7S)-1-methoxy-7-[3-(3-oxopropyl)pyrrolidin-3-id-1-yl]-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]anilino]-1,3,7-trimethylpyrimido[4,5-d]pyrimidine-2,4-dione;manganese(2+)
• PubChem CID: 177216146
• Molecular Formula: C37H35Cl2MnN7O4
• Molecular Weight: 767.58 g/mol
• Exact Mass: 766.15
• IUPAC Name: 5-[2-chloro-3-[2-chloro-3-[(7S)-1-methoxy-7-[3-(3-oxopropyl)pyrrolidin-3-id-1-yl]-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]anilino]-1,3,7-trimethylpyrimido[4,5-d]pyrimidine-2,4-dione;manganese(2+)
• SMILES: COc1nc(-c2cccc(-c3cccc(Nc4nc(C)nc5c4c(=O)n(C)c(=O)n5C)c3Cl)c2Cl)cc2c1[C@@H](N1CC[C-](CC[C-]=O)C1)CC2.[Mn+2]
• InChI: InChI=1S/C37H35Cl2N7O4.Mn/c1-20-40-33(30-34(41-20)44(2)37(49)45(3)36(30)48)42-26-12-6-10-24(32(26)39)23-9-5-11-25(31(23)38)27-18-22-13-14-28(29(22)35(43-27)50-4)46-16-15-21(19-46)8-7-17-47;/h5-6,9-12,18,28H,7-8,13-16,19H2,1-4H3,(H,40,41,42);/q-2;+2/t28-;/m0./s1
• InChIKey: IAUPEMYVULPMQE-JCOPYZAKSA-N
• XLogP: 6.28
• TPSA: 124.24 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 9
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	767.58
LogP ≤ 5	6.28
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

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-[(7S)-1-methoxy-7-[3-(3-oxopropyl)pyrrolidin-3-id-1-yl]-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]anilino]-1,3,7-trimethylpyrimido[4,5-d]pyrimidine-2,4-dione;manganese(2+)?

The IUPAC name of 5-[2-chloro-3-[2-chloro-3-[(7S)-1-methoxy-7-[3-(3-oxopropyl)pyrrolidin-3-id-1-yl]-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]anilino]-1,3,7-trimethylpyrimido[4,5-d]pyrimidine-2,4-dione;manganese(2+) (CID 177216146) is 5-[2-chloro-3-[2-chloro-3-[(7S)-1-methoxy-7-[3-(3-oxopropyl)pyrrolidin-3-id-1-yl]-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]anilino]-1,3,7-trimethylpyrimido[4,5-d]pyrimidine-2,4-dione;manganese(2+).

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

The canonical SMILES for 5-[2-chloro-3-[2-chloro-3-[(7S)-1-methoxy-7-[3-(3-oxopropyl)pyrrolidin-3-id-1-yl]-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]anilino]-1,3,7-trimethylpyrimido[4,5-d]pyrimidine-2,4-dione;manganese(2+) is COc1nc(-c2cccc(-c3cccc(Nc4nc(C)nc5c4c(=O)n(C)c(=O)n5C)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-[(7S)-1-methoxy-7-[3-(3-oxopropyl)pyrrolidin-3-id-1-yl]-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]anilino]-1,3,7-trimethylpyrimido[4,5-d]pyrimidine-2,4-dione;manganese(2+)?

The InChIKey is IAUPEMYVULPMQE-JCOPYZAKSA-N. The full InChI is InChI=1S/C37H35Cl2N7O4.Mn/c1-20-40-33(30-34(41-20)44(2)37(49)45(3)36(30)48)42-26-12-6-10-24(32(26)39)23-9-5-11-25(31(23)38)27-18-22-13-14-28(29(22)35(43-27)50-4)46-16-15-21(19-46)8-7-17-47;/h5-6,9-12,18,28H,7-8,13-16,19H2,1-4H3,(H,40,41,42);/q-2;+2/t28-;/m0./s1.

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

5-[2-chloro-3-[2-chloro-3-[(7S)-1-methoxy-7-[3-(3-oxopropyl)pyrrolidin-3-id-1-yl]-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]anilino]-1,3,7-trimethylpyrimido[4,5-d]pyrimidine-2,4-dione;manganese(2+) has a molecular weight of 767.58 g/mol, XLogP of 6.28, 9 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-chloro-3-[2-chloro-3-[(7S)-1-methoxy-7-[3-(3-oxopropyl)pyrrolidin-3-id-1-yl]-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]anilino]-1,3,7-trimethylpyrimido[4,5-d]pyrimidine-2,4-dione;manganese(2+) is sourced from PubChem (CID 177216146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).