8-(7-azaspiro[3.5]nonan-2-yl)-6-(2-chloro-3,5-dimethoxyphenyl)-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one

C24H28ClN5O3 — CID 137491292

About 8-(7-azaspiro[3.5]nonan-2-yl)-6-(2-chloro-3,5-dimethoxyphenyl)-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one

8-(7-azaspiro[3.5]nonan-2-yl)-6-(2-chloro-3,5-dimethoxyphenyl)-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 137491292) has the molecular formula C24H28ClN5O3 and a molecular weight of 469.97 g/mol. Its IUPAC name is 8-(7-azaspiro[3.5]nonan-2-yl)-6-(2-chloro-3,5-dimethoxyphenyl)-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

• Compound Name: 8-(7-azaspiro[3.5]nonan-2-yl)-6-(2-chloro-3,5-dimethoxyphenyl)-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one
• PubChem CID: 137491292
• Molecular Formula: C24H28ClN5O3
• Molecular Weight: 469.97 g/mol
• Exact Mass: 469.19
• IUPAC Name: 8-(7-azaspiro[3.5]nonan-2-yl)-6-(2-chloro-3,5-dimethoxyphenyl)-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one
• SMILES: CNc1ncc2cc(-c3cc(OC)cc(OC)c3Cl)c(=O)n(C3CC4(CCNCC4)C3)c2n1
• InChI: InChI=1S/C24H28ClN5O3/c1-26-23-28-13-14-8-18(17-9-16(32-2)10-19(33-3)20(17)25)22(31)30(21(14)29-23)15-11-24(12-15)4-6-27-7-5-24/h8-10,13,15,27H,4-7,11-12H2,1-3H3,(H,26,28,29)
• InChIKey: HMSUTHBEJSHCNF-UHFFFAOYSA-N
• XLogP: 3.88
• TPSA: 90.30 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	469.97
LogP ≤ 5	3.88
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 8-(7-azaspiro[3.5]nonan-2-yl)-6-(2-chloro-3,5-dimethoxyphenyl)-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one?

The IUPAC name of 8-(7-azaspiro[3.5]nonan-2-yl)-6-(2-chloro-3,5-dimethoxyphenyl)-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one (CID 137491292) is 8-(7-azaspiro[3.5]nonan-2-yl)-6-(2-chloro-3,5-dimethoxyphenyl)-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one.

What is the SMILES notation for 8-(7-azaspiro[3.5]nonan-2-yl)-6-(2-chloro-3,5-dimethoxyphenyl)-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one?

The canonical SMILES for 8-(7-azaspiro[3.5]nonan-2-yl)-6-(2-chloro-3,5-dimethoxyphenyl)-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one is CNc1ncc2cc(-c3cc(OC)cc(OC)c3Cl)c(=O)n(C3CC4(CCNCC4)C3)c2n1.

What is the InChIKey of 8-(7-azaspiro[3.5]nonan-2-yl)-6-(2-chloro-3,5-dimethoxyphenyl)-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one?

The InChIKey is HMSUTHBEJSHCNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClN5O3/c1-26-23-28-13-14-8-18(17-9-16(32-2)10-19(33-3)20(17)25)22(31)30(21(14)29-23)15-11-24(12-15)4-6-27-7-5-24/h8-10,13,15,27H,4-7,11-12H2,1-3H3,(H,26,28,29).

What are the key properties of 8-(7-azaspiro[3.5]nonan-2-yl)-6-(2-chloro-3,5-dimethoxyphenyl)-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one?

8-(7-azaspiro[3.5]nonan-2-yl)-6-(2-chloro-3,5-dimethoxyphenyl)-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 469.97 g/mol, XLogP of 3.88, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(7-azaspiro[3.5]nonan-2-yl)-6-(2-chloro-3,5-dimethoxyphenyl)-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 137491292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).