(5R)-7-[(7R)-3-[2-chloro-3-(2-methylbenzene-3-id-1-yl)phenyl]-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]-3-(2-methoxyethyl)-1,3,7-triazaspiro[4.4]nonan-2-one;1,3-dimethyl-7-(trifluoromethyl)-5H-pyrimido[4,5-d]pyrimidin-5-ide-2,4-dione;manganese(2+)

C40H40ClF3MnN8O5 — CID 177216700

About (5R)-7-[(7R)-3-[2-chloro-3-(2-methylbenzene-3-id-1-yl)phenyl]-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]-3-(2-methoxyethyl)-1,3,7-triazaspiro[4.4]nonan-2-one;1,3-dimethyl-7-(trifluoromethyl)-5H-pyrimido[4,5-d]pyrimidin-5-ide-2,4-dione;manganese(2+)

(5R)-7-[(7R)-3-[2-chloro-3-(2-methylbenzene-3-id-1-yl)phenyl]-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]-3-(2-methoxyethyl)-1,3,7-triazaspiro[4.4]nonan-2-one;1,3-dimethyl-7-(trifluoromethyl)-5H-pyrimido[4,5-d]pyrimidin-5-ide-2,4-dione;manganese(2+) (PubChem CID 177216700) has the molecular formula C40H40ClF3MnN8O5 and a molecular weight of 860.20 g/mol. Its IUPAC name is (5R)-7-[(7R)-3-[2-chloro-3-(2-methylbenzene-3-id-1-yl)phenyl]-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]-3-(2-methoxyethyl)-1,3,7-triazaspiro[4.4]nonan-2-one;1,3-dimethyl-7-(trifluoromethyl)-5H-pyrimido[4,5-d]pyrimidin-5-ide-2,4-dione;manganese(2+).

Molecular Properties

• Compound Name: (5R)-7-[(7R)-3-[2-chloro-3-(2-methylbenzene-3-id-1-yl)phenyl]-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]-3-(2-methoxyethyl)-1,3,7-triazaspiro[4.4]nonan-2-one;1,3-dimethyl-7-(trifluoromethyl)-5H-pyrimido[4,5-d]pyrimidin-5-ide-2,4-dione;manganese(2+)
• PubChem CID: 177216700
• Molecular Formula: C40H40ClF3MnN8O5
• Molecular Weight: 860.20 g/mol
• Exact Mass: 859.21
• IUPAC Name: (5R)-7-[(7R)-3-[2-chloro-3-(2-methylbenzene-3-id-1-yl)phenyl]-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]-3-(2-methoxyethyl)-1,3,7-triazaspiro[4.4]nonan-2-one;1,3-dimethyl-7-(trifluoromethyl)-5H-pyrimido[4,5-d]pyrimidin-5-ide-2,4-dione;manganese(2+)
• SMILES: COCCN1C[C@]2(CCN([C@@H]3CCc4cc(-c5cccc(-c6ccc[c-]c6C)c5Cl)nc(OC)c43)C2)NC1=O.Cn1c(=O)c2[c-]nc(C(F)(F)F)nc2n(C)c1=O.[Mn+2]
• InChI: InChI=1S/C31H34ClN4O3.C9H6F3N4O2.Mn/c1-20-7-4-5-8-22(20)23-9-6-10-24(28(23)32)25-17-21-11-12-26(27(21)29(33-25)39-3)35-14-13-31(18-35)19-36(15-16-38-2)30(37)34-31;1-15-5-4(6(17)16(2)8(15)18)3-13-7(14-5)9(10,11)12;/h4-6,8-10,17,26H,11-16,18-19H2,1-3H3,(H,34,37);1-2H3;/q2*-1;+2/t26-,31-;;/m1../s1
• InChIKey: GDUASEYJVGCIMF-LSYZBGFGSA-N
• XLogP: 5.13
• TPSA: 136.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 7
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	860.20
LogP ≤ 5	5.13
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 (5R)-7-[(7R)-3-[2-chloro-3-(2-methylbenzene-3-id-1-yl)phenyl]-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]-3-(2-methoxyethyl)-1,3,7-triazaspiro[4.4]nonan-2-one;1,3-dimethyl-7-(trifluoromethyl)-5H-pyrimido[4,5-d]pyrimidin-5-ide-2,4-dione;manganese(2+)?

The IUPAC name of (5R)-7-[(7R)-3-[2-chloro-3-(2-methylbenzene-3-id-1-yl)phenyl]-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]-3-(2-methoxyethyl)-1,3,7-triazaspiro[4.4]nonan-2-one;1,3-dimethyl-7-(trifluoromethyl)-5H-pyrimido[4,5-d]pyrimidin-5-ide-2,4-dione;manganese(2+) (CID 177216700) is (5R)-7-[(7R)-3-[2-chloro-3-(2-methylbenzene-3-id-1-yl)phenyl]-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]-3-(2-methoxyethyl)-1,3,7-triazaspiro[4.4]nonan-2-one;1,3-dimethyl-7-(trifluoromethyl)-5H-pyrimido[4,5-d]pyrimidin-5-ide-2,4-dione;manganese(2+).

What is the SMILES notation for (5R)-7-[(7R)-3-[2-chloro-3-(2-methylbenzene-3-id-1-yl)phenyl]-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]-3-(2-methoxyethyl)-1,3,7-triazaspiro[4.4]nonan-2-one;1,3-dimethyl-7-(trifluoromethyl)-5H-pyrimido[4,5-d]pyrimidin-5-ide-2,4-dione;manganese(2+)?

The canonical SMILES for (5R)-7-[(7R)-3-[2-chloro-3-(2-methylbenzene-3-id-1-yl)phenyl]-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]-3-(2-methoxyethyl)-1,3,7-triazaspiro[4.4]nonan-2-one;1,3-dimethyl-7-(trifluoromethyl)-5H-pyrimido[4,5-d]pyrimidin-5-ide-2,4-dione;manganese(2+) is COCCN1C[C@]2(CCN([C@@H]3CCc4cc(-c5cccc(-c6ccc[c-]c6C)c5Cl)nc(OC)c43)C2)NC1=O.Cn1c(=O)c2[c-]nc(C(F)(F)F)nc2n(C)c1=O.[Mn+2].

What is the InChIKey of (5R)-7-[(7R)-3-[2-chloro-3-(2-methylbenzene-3-id-1-yl)phenyl]-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]-3-(2-methoxyethyl)-1,3,7-triazaspiro[4.4]nonan-2-one;1,3-dimethyl-7-(trifluoromethyl)-5H-pyrimido[4,5-d]pyrimidin-5-ide-2,4-dione;manganese(2+)?

The InChIKey is GDUASEYJVGCIMF-LSYZBGFGSA-N. The full InChI is InChI=1S/C31H34ClN4O3.C9H6F3N4O2.Mn/c1-20-7-4-5-8-22(20)23-9-6-10-24(28(23)32)25-17-21-11-12-26(27(21)29(33-25)39-3)35-14-13-31(18-35)19-36(15-16-38-2)30(37)34-31;1-15-5-4(6(17)16(2)8(15)18)3-13-7(14-5)9(10,11)12;/h4-6,8-10,17,26H,11-16,18-19H2,1-3H3,(H,34,37);1-2H3;/q2*-1;+2/t26-,31-;;/m1../s1.

What are the key properties of (5R)-7-[(7R)-3-[2-chloro-3-(2-methylbenzene-3-id-1-yl)phenyl]-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]-3-(2-methoxyethyl)-1,3,7-triazaspiro[4.4]nonan-2-one;1,3-dimethyl-7-(trifluoromethyl)-5H-pyrimido[4,5-d]pyrimidin-5-ide-2,4-dione;manganese(2+)?

(5R)-7-[(7R)-3-[2-chloro-3-(2-methylbenzene-3-id-1-yl)phenyl]-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]-3-(2-methoxyethyl)-1,3,7-triazaspiro[4.4]nonan-2-one;1,3-dimethyl-7-(trifluoromethyl)-5H-pyrimido[4,5-d]pyrimidin-5-ide-2,4-dione;manganese(2+) has a molecular weight of 860.20 g/mol, XLogP of 5.13, 7 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-7-[(7R)-3-[2-chloro-3-(2-methylbenzene-3-id-1-yl)phenyl]-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]-3-(2-methoxyethyl)-1,3,7-triazaspiro[4.4]nonan-2-one;1,3-dimethyl-7-(trifluoromethyl)-5H-pyrimido[4,5-d]pyrimidin-5-ide-2,4-dione;manganese(2+) is sourced from PubChem (CID 177216700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).