5-[2-chloro-3-[2-chloro-3-(1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)phenyl]anilino]-1,3,7-trimethylpyrido[4,3-d]pyrimidine-2,4-dione;2,5-diazaspiro[3.4]octan-6-one;ethane

C39H43Cl2N7O4 — CID 177215690

About 5-[2-chloro-3-[2-chloro-3-(1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)phenyl]anilino]-1,3,7-trimethylpyrido[4,3-d]pyrimidine-2,4-dione;2,5-diazaspiro[3.4]octan-6-one;ethane

5-[2-chloro-3-[2-chloro-3-(1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)phenyl]anilino]-1,3,7-trimethylpyrido[4,3-d]pyrimidine-2,4-dione;2,5-diazaspiro[3.4]octan-6-one;ethane (PubChem CID 177215690) has the molecular formula C39H43Cl2N7O4 and a molecular weight of 744.72 g/mol. Its IUPAC name is 5-[2-chloro-3-[2-chloro-3-(1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)phenyl]anilino]-1,3,7-trimethylpyrido[4,3-d]pyrimidine-2,4-dione;2,5-diazaspiro[3.4]octan-6-one;ethane.

Molecular Properties

• Compound Name: 5-[2-chloro-3-[2-chloro-3-(1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)phenyl]anilino]-1,3,7-trimethylpyrido[4,3-d]pyrimidine-2,4-dione;2,5-diazaspiro[3.4]octan-6-one;ethane
• PubChem CID: 177215690
• Molecular Formula: C39H43Cl2N7O4
• Molecular Weight: 744.72 g/mol
• Exact Mass: 743.28
• IUPAC Name: 5-[2-chloro-3-[2-chloro-3-(1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)phenyl]anilino]-1,3,7-trimethylpyrido[4,3-d]pyrimidine-2,4-dione;2,5-diazaspiro[3.4]octan-6-one;ethane
• SMILES: CC.COc1nc(-c2cccc(-c3cccc(Nc4nc(C)cc5c4c(=O)n(C)c(=O)n5C)c3Cl)c2Cl)cc2c1CCC2.O=C1CCC2(CNC2)N1
• InChI: InChI=1S/C31H27Cl2N5O3.C6H10N2O.C2H6/c1-16-14-24-25(30(39)38(3)31(40)37(24)2)28(34-16)35-22-13-7-11-20(27(22)33)19-10-6-12-21(26(19)32)23-15-17-8-5-9-18(17)29(36-23)41-4;9-5-1-2-6(8-5)3-7-4-6;1-2/h6-7,10-15H,5,8-9H2,1-4H3,(H,34,35);7H,1-4H2,(H,8,9);1-2H3
• InChIKey: WTOIUNZSHXSHBP-UHFFFAOYSA-N
• XLogP: 6.48
• TPSA: 132.17 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 5
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	744.72
LogP ≤ 5	6.48
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 5-[2-chloro-3-[2-chloro-3-(1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)phenyl]anilino]-1,3,7-trimethylpyrido[4,3-d]pyrimidine-2,4-dione;2,5-diazaspiro[3.4]octan-6-one;ethane?

The IUPAC name of 5-[2-chloro-3-[2-chloro-3-(1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)phenyl]anilino]-1,3,7-trimethylpyrido[4,3-d]pyrimidine-2,4-dione;2,5-diazaspiro[3.4]octan-6-one;ethane (CID 177215690) is 5-[2-chloro-3-[2-chloro-3-(1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)phenyl]anilino]-1,3,7-trimethylpyrido[4,3-d]pyrimidine-2,4-dione;2,5-diazaspiro[3.4]octan-6-one;ethane.

What is the SMILES notation for 5-[2-chloro-3-[2-chloro-3-(1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)phenyl]anilino]-1,3,7-trimethylpyrido[4,3-d]pyrimidine-2,4-dione;2,5-diazaspiro[3.4]octan-6-one;ethane?

The canonical SMILES for 5-[2-chloro-3-[2-chloro-3-(1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)phenyl]anilino]-1,3,7-trimethylpyrido[4,3-d]pyrimidine-2,4-dione;2,5-diazaspiro[3.4]octan-6-one;ethane is CC.COc1nc(-c2cccc(-c3cccc(Nc4nc(C)cc5c4c(=O)n(C)c(=O)n5C)c3Cl)c2Cl)cc2c1CCC2.O=C1CCC2(CNC2)N1.

What is the InChIKey of 5-[2-chloro-3-[2-chloro-3-(1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)phenyl]anilino]-1,3,7-trimethylpyrido[4,3-d]pyrimidine-2,4-dione;2,5-diazaspiro[3.4]octan-6-one;ethane?

The InChIKey is WTOIUNZSHXSHBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H27Cl2N5O3.C6H10N2O.C2H6/c1-16-14-24-25(30(39)38(3)31(40)37(24)2)28(34-16)35-22-13-7-11-20(27(22)33)19-10-6-12-21(26(19)32)23-15-17-8-5-9-18(17)29(36-23)41-4;9-5-1-2-6(8-5)3-7-4-6;1-2/h6-7,10-15H,5,8-9H2,1-4H3,(H,34,35);7H,1-4H2,(H,8,9);1-2H3.

What are the key properties of 5-[2-chloro-3-[2-chloro-3-(1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)phenyl]anilino]-1,3,7-trimethylpyrido[4,3-d]pyrimidine-2,4-dione;2,5-diazaspiro[3.4]octan-6-one;ethane?

5-[2-chloro-3-[2-chloro-3-(1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)phenyl]anilino]-1,3,7-trimethylpyrido[4,3-d]pyrimidine-2,4-dione;2,5-diazaspiro[3.4]octan-6-one;ethane has a molecular weight of 744.72 g/mol, XLogP of 6.48, 5 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-chloro-3-[2-chloro-3-(1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)phenyl]anilino]-1,3,7-trimethylpyrido[4,3-d]pyrimidine-2,4-dione;2,5-diazaspiro[3.4]octan-6-one;ethane is sourced from PubChem (CID 177215690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).