4-chloro-1-(2-hydroxy-2-methylpropyl)-7-methoxy-1'-(8-methyl-4-oxo-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-2-yl)spiro[indole-3,4'-piperidine]-2-one

C25H32ClN5O4 — CID 138594629

About 4-chloro-1-(2-hydroxy-2-methylpropyl)-7-methoxy-1'-(8-methyl-4-oxo-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-2-yl)spiro[indole-3,4'-piperidine]-2-one

4-chloro-1-(2-hydroxy-2-methylpropyl)-7-methoxy-1'-(8-methyl-4-oxo-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-2-yl)spiro[indole-3,4'-piperidine]-2-one (PubChem CID 138594629) has the molecular formula C25H32ClN5O4 and a molecular weight of 502.02 g/mol. Its IUPAC name is 4-chloro-1-(2-hydroxy-2-methylpropyl)-7-methoxy-1'-(8-methyl-4-oxo-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-2-yl)spiro[indole-3,4'-piperidine]-2-one.

Molecular Properties

• Compound Name: 4-chloro-1-(2-hydroxy-2-methylpropyl)-7-methoxy-1'-(8-methyl-4-oxo-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-2-yl)spiro[indole-3,4'-piperidine]-2-one
• PubChem CID: 138594629
• Molecular Formula: C25H32ClN5O4
• Molecular Weight: 502.02 g/mol
• Exact Mass: 501.21
• IUPAC Name: 4-chloro-1-(2-hydroxy-2-methylpropyl)-7-methoxy-1'-(8-methyl-4-oxo-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-2-yl)spiro[indole-3,4'-piperidine]-2-one
• SMILES: COc1ccc(Cl)c2c1N(CC(C)(C)O)C(=O)C21CCN(c2nc3c(c(=O)[nH]2)CCCN3C)CC1
• InChI: InChI=1S/C25H32ClN5O4/c1-24(2,34)14-31-19-17(35-4)8-7-16(26)18(19)25(22(31)33)9-12-30(13-10-25)23-27-20-15(21(32)28-23)6-5-11-29(20)3/h7-8,34H,5-6,9-14H2,1-4H3,(H,27,28,32)
• InChIKey: RGZDLQWKWVXTGS-UHFFFAOYSA-N
• XLogP: 2.47
• TPSA: 102.00 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	502.02
LogP ≤ 5	2.47
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(2-hydroxy-2-methylpropyl)-7-methoxy-1'-(8-methyl-4-oxo-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-2-yl)spiro[indole-3,4'-piperidine]-2-one?

The IUPAC name of 4-chloro-1-(2-hydroxy-2-methylpropyl)-7-methoxy-1'-(8-methyl-4-oxo-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-2-yl)spiro[indole-3,4'-piperidine]-2-one (CID 138594629) is 4-chloro-1-(2-hydroxy-2-methylpropyl)-7-methoxy-1'-(8-methyl-4-oxo-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-2-yl)spiro[indole-3,4'-piperidine]-2-one.

What is the SMILES notation for 4-chloro-1-(2-hydroxy-2-methylpropyl)-7-methoxy-1'-(8-methyl-4-oxo-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-2-yl)spiro[indole-3,4'-piperidine]-2-one?

The canonical SMILES for 4-chloro-1-(2-hydroxy-2-methylpropyl)-7-methoxy-1'-(8-methyl-4-oxo-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-2-yl)spiro[indole-3,4'-piperidine]-2-one is COc1ccc(Cl)c2c1N(CC(C)(C)O)C(=O)C21CCN(c2nc3c(c(=O)[nH]2)CCCN3C)CC1.

What is the InChIKey of 4-chloro-1-(2-hydroxy-2-methylpropyl)-7-methoxy-1'-(8-methyl-4-oxo-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-2-yl)spiro[indole-3,4'-piperidine]-2-one?

The InChIKey is RGZDLQWKWVXTGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32ClN5O4/c1-24(2,34)14-31-19-17(35-4)8-7-16(26)18(19)25(22(31)33)9-12-30(13-10-25)23-27-20-15(21(32)28-23)6-5-11-29(20)3/h7-8,34H,5-6,9-14H2,1-4H3,(H,27,28,32).

What are the key properties of 4-chloro-1-(2-hydroxy-2-methylpropyl)-7-methoxy-1'-(8-methyl-4-oxo-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-2-yl)spiro[indole-3,4'-piperidine]-2-one?

4-chloro-1-(2-hydroxy-2-methylpropyl)-7-methoxy-1'-(8-methyl-4-oxo-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-2-yl)spiro[indole-3,4'-piperidine]-2-one has a molecular weight of 502.02 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-1-(2-hydroxy-2-methylpropyl)-7-methoxy-1'-(8-methyl-4-oxo-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-2-yl)spiro[indole-3,4'-piperidine]-2-one is sourced from PubChem (CID 138594629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).