1,3-dimethyl-5H-pyrido[4,3-d]pyrimidin-5-ide-2,4-dione;manganese(2+);methyl 4-[2-[7-[2-chloro-3-(2-chlorobenzene-3-id-1-yl)phenyl]-5-methoxy-3,4-dihydro-1H-2,6-naphthyridin-2-yl]ethyl]bicyclo[2.2.1]heptane-1-carboxylate

C41H41Cl2MnN5O5 — CID 177214368

About 1,3-dimethyl-5H-pyrido[4,3-d]pyrimidin-5-ide-2,4-dione;manganese(2+);methyl 4-[2-[7-[2-chloro-3-(2-chlorobenzene-3-id-1-yl)phenyl]-5-methoxy-3,4-dihydro-1H-2,6-naphthyridin-2-yl]ethyl]bicyclo[2.2.1]heptane-1-carboxylate

1,3-dimethyl-5H-pyrido[4,3-d]pyrimidin-5-ide-2,4-dione;manganese(2+);methyl 4-[2-[7-[2-chloro-3-(2-chlorobenzene-3-id-1-yl)phenyl]-5-methoxy-3,4-dihydro-1H-2,6-naphthyridin-2-yl]ethyl]bicyclo[2.2.1]heptane-1-carboxylate (PubChem CID 177214368) has the molecular formula C41H41Cl2MnN5O5 and a molecular weight of 809.65 g/mol. Its IUPAC name is 1,3-dimethyl-5H-pyrido[4,3-d]pyrimidin-5-ide-2,4-dione;manganese(2+);methyl 4-[2-[7-[2-chloro-3-(2-chlorobenzene-3-id-1-yl)phenyl]-5-methoxy-3,4-dihydro-1H-2,6-naphthyridin-2-yl]ethyl]bicyclo[2.2.1]heptane-1-carboxylate.

Molecular Properties

• Compound Name: 1,3-dimethyl-5H-pyrido[4,3-d]pyrimidin-5-ide-2,4-dione;manganese(2+);methyl 4-[2-[7-[2-chloro-3-(2-chlorobenzene-3-id-1-yl)phenyl]-5-methoxy-3,4-dihydro-1H-2,6-naphthyridin-2-yl]ethyl]bicyclo[2.2.1]heptane-1-carboxylate
• PubChem CID: 177214368
• Molecular Formula: C41H41Cl2MnN5O5
• Molecular Weight: 809.65 g/mol
• Exact Mass: 808.19
• IUPAC Name: 1,3-dimethyl-5H-pyrido[4,3-d]pyrimidin-5-ide-2,4-dione;manganese(2+);methyl 4-[2-[7-[2-chloro-3-(2-chlorobenzene-3-id-1-yl)phenyl]-5-methoxy-3,4-dihydro-1H-2,6-naphthyridin-2-yl]ethyl]bicyclo[2.2.1]heptane-1-carboxylate
• SMILES: COC(=O)C12CCC(CCN3CCc4c(cc(-c5cccc(-c6ccc[c-]c6Cl)c5Cl)nc4OC)C3)(CC1)C2.Cn1c(=O)c2[c-]nccc2n(C)c1=O.[Mn+2]
• InChI: InChI=1S/C32H33Cl2N2O3.C9H8N3O2.Mn/c1-38-29-22-10-16-36(17-15-31-11-13-32(20-31,14-12-31)30(37)39-2)19-21(22)18-27(35-29)25-8-5-7-24(28(25)34)23-6-3-4-9-26(23)33;1-11-7-3-4-10-5-6(7)8(13)12(2)9(11)14;/h3-8,18H,10-17,19-20H2,1-2H3;3-4H,1-2H3;/q2*-1;+2
• InChIKey: MQKVOQWIRSMHSH-UHFFFAOYSA-N
• XLogP: 6.83
• TPSA: 108.55 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	809.65
LogP ≤ 5	6.83
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5H-pyrido[4,3-d]pyrimidin-5-ide-2,4-dione;manganese(2+);methyl 4-[2-[7-[2-chloro-3-(2-chlorobenzene-3-id-1-yl)phenyl]-5-methoxy-3,4-dihydro-1H-2,6-naphthyridin-2-yl]ethyl]bicyclo[2.2.1]heptane-1-carboxylate?

The IUPAC name of 1,3-dimethyl-5H-pyrido[4,3-d]pyrimidin-5-ide-2,4-dione;manganese(2+);methyl 4-[2-[7-[2-chloro-3-(2-chlorobenzene-3-id-1-yl)phenyl]-5-methoxy-3,4-dihydro-1H-2,6-naphthyridin-2-yl]ethyl]bicyclo[2.2.1]heptane-1-carboxylate (CID 177214368) is 1,3-dimethyl-5H-pyrido[4,3-d]pyrimidin-5-ide-2,4-dione;manganese(2+);methyl 4-[2-[7-[2-chloro-3-(2-chlorobenzene-3-id-1-yl)phenyl]-5-methoxy-3,4-dihydro-1H-2,6-naphthyridin-2-yl]ethyl]bicyclo[2.2.1]heptane-1-carboxylate.

What is the SMILES notation for 1,3-dimethyl-5H-pyrido[4,3-d]pyrimidin-5-ide-2,4-dione;manganese(2+);methyl 4-[2-[7-[2-chloro-3-(2-chlorobenzene-3-id-1-yl)phenyl]-5-methoxy-3,4-dihydro-1H-2,6-naphthyridin-2-yl]ethyl]bicyclo[2.2.1]heptane-1-carboxylate?

The canonical SMILES for 1,3-dimethyl-5H-pyrido[4,3-d]pyrimidin-5-ide-2,4-dione;manganese(2+);methyl 4-[2-[7-[2-chloro-3-(2-chlorobenzene-3-id-1-yl)phenyl]-5-methoxy-3,4-dihydro-1H-2,6-naphthyridin-2-yl]ethyl]bicyclo[2.2.1]heptane-1-carboxylate is COC(=O)C12CCC(CCN3CCc4c(cc(-c5cccc(-c6ccc[c-]c6Cl)c5Cl)nc4OC)C3)(CC1)C2.Cn1c(=O)c2[c-]nccc2n(C)c1=O.[Mn+2].

What is the InChIKey of 1,3-dimethyl-5H-pyrido[4,3-d]pyrimidin-5-ide-2,4-dione;manganese(2+);methyl 4-[2-[7-[2-chloro-3-(2-chlorobenzene-3-id-1-yl)phenyl]-5-methoxy-3,4-dihydro-1H-2,6-naphthyridin-2-yl]ethyl]bicyclo[2.2.1]heptane-1-carboxylate?

The InChIKey is MQKVOQWIRSMHSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33Cl2N2O3.C9H8N3O2.Mn/c1-38-29-22-10-16-36(17-15-31-11-13-32(20-31,14-12-31)30(37)39-2)19-21(22)18-27(35-29)25-8-5-7-24(28(25)34)23-6-3-4-9-26(23)33;1-11-7-3-4-10-5-6(7)8(13)12(2)9(11)14;/h3-8,18H,10-17,19-20H2,1-2H3;3-4H,1-2H3;/q2*-1;+2.

What are the key properties of 1,3-dimethyl-5H-pyrido[4,3-d]pyrimidin-5-ide-2,4-dione;manganese(2+);methyl 4-[2-[7-[2-chloro-3-(2-chlorobenzene-3-id-1-yl)phenyl]-5-methoxy-3,4-dihydro-1H-2,6-naphthyridin-2-yl]ethyl]bicyclo[2.2.1]heptane-1-carboxylate?

1,3-dimethyl-5H-pyrido[4,3-d]pyrimidin-5-ide-2,4-dione;manganese(2+);methyl 4-[2-[7-[2-chloro-3-(2-chlorobenzene-3-id-1-yl)phenyl]-5-methoxy-3,4-dihydro-1H-2,6-naphthyridin-2-yl]ethyl]bicyclo[2.2.1]heptane-1-carboxylate has a molecular weight of 809.65 g/mol, XLogP of 6.83, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 1,3-dimethyl-5H-pyrido[4,3-d]pyrimidin-5-ide-2,4-dione;manganese(2+);methyl 4-[2-[7-[2-chloro-3-(2-chlorobenzene-3-id-1-yl)phenyl]-5-methoxy-3,4-dihydro-1H-2,6-naphthyridin-2-yl]ethyl]bicyclo[2.2.1]heptane-1-carboxylate is sourced from PubChem (CID 177214368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).