6-chloro-8-cyclopentyl-2-[2-methyl-4-[(7-methyl-6-oxo-7-azaspiro[3.5]nonan-2-yl)sulfonyl]anilino]pyrido[2,3-d]pyrimidin-7-one

C28H32ClN5O4S — CID 171599001

About 6-chloro-8-cyclopentyl-2-[2-methyl-4-[(7-methyl-6-oxo-7-azaspiro[3.5]nonan-2-yl)sulfonyl]anilino]pyrido[2,3-d]pyrimidin-7-one

6-chloro-8-cyclopentyl-2-[2-methyl-4-[(7-methyl-6-oxo-7-azaspiro[3.5]nonan-2-yl)sulfonyl]anilino]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 171599001) has the molecular formula C28H32ClN5O4S and a molecular weight of 570.12 g/mol. Its IUPAC name is 6-chloro-8-cyclopentyl-2-[2-methyl-4-[(7-methyl-6-oxo-7-azaspiro[3.5]nonan-2-yl)sulfonyl]anilino]pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

• Compound Name: 6-chloro-8-cyclopentyl-2-[2-methyl-4-[(7-methyl-6-oxo-7-azaspiro[3.5]nonan-2-yl)sulfonyl]anilino]pyrido[2,3-d]pyrimidin-7-one
• PubChem CID: 171599001
• Molecular Formula: C28H32ClN5O4S
• Molecular Weight: 570.12 g/mol
• Exact Mass: 569.19
• IUPAC Name: 6-chloro-8-cyclopentyl-2-[2-methyl-4-[(7-methyl-6-oxo-7-azaspiro[3.5]nonan-2-yl)sulfonyl]anilino]pyrido[2,3-d]pyrimidin-7-one
• SMILES: Cc1cc(S(=O)(=O)C2CC3(CCN(C)C(=O)C3)C2)ccc1Nc1ncc2cc(Cl)c(=O)n(C3CCCC3)c2n1
• InChI: InChI=1S/C28H32ClN5O4S/c1-17-11-20(39(37,38)21-13-28(14-21)9-10-33(2)24(35)15-28)7-8-23(17)31-27-30-16-18-12-22(29)26(36)34(25(18)32-27)19-5-3-4-6-19/h7-8,11-12,16,19,21H,3-6,9-10,13-15H2,1-2H3,(H,30,31,32)
• InChIKey: OGUPBGJGGSPWEF-UHFFFAOYSA-N
• XLogP: 4.79
• TPSA: 114.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	570.12
LogP ≤ 5	4.79
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 6-chloro-8-cyclopentyl-2-[2-methyl-4-[(7-methyl-6-oxo-7-azaspiro[3.5]nonan-2-yl)sulfonyl]anilino]pyrido[2,3-d]pyrimidin-7-one?

The IUPAC name of 6-chloro-8-cyclopentyl-2-[2-methyl-4-[(7-methyl-6-oxo-7-azaspiro[3.5]nonan-2-yl)sulfonyl]anilino]pyrido[2,3-d]pyrimidin-7-one (CID 171599001) is 6-chloro-8-cyclopentyl-2-[2-methyl-4-[(7-methyl-6-oxo-7-azaspiro[3.5]nonan-2-yl)sulfonyl]anilino]pyrido[2,3-d]pyrimidin-7-one.

What is the SMILES notation for 6-chloro-8-cyclopentyl-2-[2-methyl-4-[(7-methyl-6-oxo-7-azaspiro[3.5]nonan-2-yl)sulfonyl]anilino]pyrido[2,3-d]pyrimidin-7-one?

The canonical SMILES for 6-chloro-8-cyclopentyl-2-[2-methyl-4-[(7-methyl-6-oxo-7-azaspiro[3.5]nonan-2-yl)sulfonyl]anilino]pyrido[2,3-d]pyrimidin-7-one is Cc1cc(S(=O)(=O)C2CC3(CCN(C)C(=O)C3)C2)ccc1Nc1ncc2cc(Cl)c(=O)n(C3CCCC3)c2n1.

What is the InChIKey of 6-chloro-8-cyclopentyl-2-[2-methyl-4-[(7-methyl-6-oxo-7-azaspiro[3.5]nonan-2-yl)sulfonyl]anilino]pyrido[2,3-d]pyrimidin-7-one?

The InChIKey is OGUPBGJGGSPWEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32ClN5O4S/c1-17-11-20(39(37,38)21-13-28(14-21)9-10-33(2)24(35)15-28)7-8-23(17)31-27-30-16-18-12-22(29)26(36)34(25(18)32-27)19-5-3-4-6-19/h7-8,11-12,16,19,21H,3-6,9-10,13-15H2,1-2H3,(H,30,31,32).

What are the key properties of 6-chloro-8-cyclopentyl-2-[2-methyl-4-[(7-methyl-6-oxo-7-azaspiro[3.5]nonan-2-yl)sulfonyl]anilino]pyrido[2,3-d]pyrimidin-7-one?

6-chloro-8-cyclopentyl-2-[2-methyl-4-[(7-methyl-6-oxo-7-azaspiro[3.5]nonan-2-yl)sulfonyl]anilino]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 570.12 g/mol, XLogP of 4.79, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-8-cyclopentyl-2-[2-methyl-4-[(7-methyl-6-oxo-7-azaspiro[3.5]nonan-2-yl)sulfonyl]anilino]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 171599001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).