5-[3-[2-chloro-3-(1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)phenyl]-2-methylanilino]-1,3,7-trimethylpyrido[4,3-d]pyrimidine-2,4-dione;3-(2-methoxyethyl)-1,3,7-triazaspiro[4.4]nonan-2-one

C41H47ClN8O5 — CID 177214826

About 5-[3-[2-chloro-3-(1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)phenyl]-2-methylanilino]-1,3,7-trimethylpyrido[4,3-d]pyrimidine-2,4-dione;3-(2-methoxyethyl)-1,3,7-triazaspiro[4.4]nonan-2-one

5-[3-[2-chloro-3-(1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)phenyl]-2-methylanilino]-1,3,7-trimethylpyrido[4,3-d]pyrimidine-2,4-dione;3-(2-methoxyethyl)-1,3,7-triazaspiro[4.4]nonan-2-one (PubChem CID 177214826) has the molecular formula C41H47ClN8O5 and a molecular weight of 767.33 g/mol. Its IUPAC name is 5-[3-[2-chloro-3-(1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)phenyl]-2-methylanilino]-1,3,7-trimethylpyrido[4,3-d]pyrimidine-2,4-dione;3-(2-methoxyethyl)-1,3,7-triazaspiro[4.4]nonan-2-one.

Molecular Properties

• Compound Name: 5-[3-[2-chloro-3-(1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)phenyl]-2-methylanilino]-1,3,7-trimethylpyrido[4,3-d]pyrimidine-2,4-dione;3-(2-methoxyethyl)-1,3,7-triazaspiro[4.4]nonan-2-one
• PubChem CID: 177214826
• Molecular Formula: C41H47ClN8O5
• Molecular Weight: 767.33 g/mol
• Exact Mass: 766.34
• IUPAC Name: 5-[3-[2-chloro-3-(1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)phenyl]-2-methylanilino]-1,3,7-trimethylpyrido[4,3-d]pyrimidine-2,4-dione;3-(2-methoxyethyl)-1,3,7-triazaspiro[4.4]nonan-2-one
• SMILES: COCCN1CC2(CCNC2)NC1=O.COc1nc(-c2cccc(-c3cccc(Nc4nc(C)cc5c4c(=O)n(C)c(=O)n5C)c3C)c2Cl)cc2c1CCC2
• InChI: InChI=1S/C32H30ClN5O3.C9H17N3O2/c1-17-15-26-27(31(39)38(4)32(40)37(26)3)29(34-17)35-24-14-8-10-20(18(24)2)22-12-7-13-23(28(22)33)25-16-19-9-6-11-21(19)30(36-25)41-5;1-14-5-4-12-7-9(11-8(12)13)2-3-10-6-9/h7-8,10,12-16H,6,9,11H2,1-5H3,(H,34,35);10H,2-7H2,1H3,(H,11,13)
• InChIKey: PZWUKOCZOOJXKD-UHFFFAOYSA-N
• XLogP: 5.26
• TPSA: 144.64 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 8
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	767.33
LogP ≤ 5	5.26
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 5-[3-[2-chloro-3-(1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)phenyl]-2-methylanilino]-1,3,7-trimethylpyrido[4,3-d]pyrimidine-2,4-dione;3-(2-methoxyethyl)-1,3,7-triazaspiro[4.4]nonan-2-one?

The IUPAC name of 5-[3-[2-chloro-3-(1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)phenyl]-2-methylanilino]-1,3,7-trimethylpyrido[4,3-d]pyrimidine-2,4-dione;3-(2-methoxyethyl)-1,3,7-triazaspiro[4.4]nonan-2-one (CID 177214826) is 5-[3-[2-chloro-3-(1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)phenyl]-2-methylanilino]-1,3,7-trimethylpyrido[4,3-d]pyrimidine-2,4-dione;3-(2-methoxyethyl)-1,3,7-triazaspiro[4.4]nonan-2-one.

What is the SMILES notation for 5-[3-[2-chloro-3-(1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)phenyl]-2-methylanilino]-1,3,7-trimethylpyrido[4,3-d]pyrimidine-2,4-dione;3-(2-methoxyethyl)-1,3,7-triazaspiro[4.4]nonan-2-one?

The canonical SMILES for 5-[3-[2-chloro-3-(1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)phenyl]-2-methylanilino]-1,3,7-trimethylpyrido[4,3-d]pyrimidine-2,4-dione;3-(2-methoxyethyl)-1,3,7-triazaspiro[4.4]nonan-2-one is COCCN1CC2(CCNC2)NC1=O.COc1nc(-c2cccc(-c3cccc(Nc4nc(C)cc5c4c(=O)n(C)c(=O)n5C)c3C)c2Cl)cc2c1CCC2.

What is the InChIKey of 5-[3-[2-chloro-3-(1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)phenyl]-2-methylanilino]-1,3,7-trimethylpyrido[4,3-d]pyrimidine-2,4-dione;3-(2-methoxyethyl)-1,3,7-triazaspiro[4.4]nonan-2-one?

The InChIKey is PZWUKOCZOOJXKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30ClN5O3.C9H17N3O2/c1-17-15-26-27(31(39)38(4)32(40)37(26)3)29(34-17)35-24-14-8-10-20(18(24)2)22-12-7-13-23(28(22)33)25-16-19-9-6-11-21(19)30(36-25)41-5;1-14-5-4-12-7-9(11-8(12)13)2-3-10-6-9/h7-8,10,12-16H,6,9,11H2,1-5H3,(H,34,35);10H,2-7H2,1H3,(H,11,13).

What are the key properties of 5-[3-[2-chloro-3-(1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)phenyl]-2-methylanilino]-1,3,7-trimethylpyrido[4,3-d]pyrimidine-2,4-dione;3-(2-methoxyethyl)-1,3,7-triazaspiro[4.4]nonan-2-one?

5-[3-[2-chloro-3-(1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)phenyl]-2-methylanilino]-1,3,7-trimethylpyrido[4,3-d]pyrimidine-2,4-dione;3-(2-methoxyethyl)-1,3,7-triazaspiro[4.4]nonan-2-one has a molecular weight of 767.33 g/mol, XLogP of 5.26, 8 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-[2-chloro-3-(1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)phenyl]-2-methylanilino]-1,3,7-trimethylpyrido[4,3-d]pyrimidine-2,4-dione;3-(2-methoxyethyl)-1,3,7-triazaspiro[4.4]nonan-2-one is sourced from PubChem (CID 177214826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).