5-chloro-1'-[2-[4-(3-hydroxy-3-methylcyclobutyl)-3-oxopyrido[2,3-b]pyrazin-7-yl]oxyethyl]spiro[1H-indole-3,4'-piperidine]-2-one

C26H28ClN5O4 — CID 168997390

About 5-chloro-1'-[2-[4-(3-hydroxy-3-methylcyclobutyl)-3-oxopyrido[2,3-b]pyrazin-7-yl]oxyethyl]spiro[1H-indole-3,4'-piperidine]-2-one

5-chloro-1'-[2-[4-(3-hydroxy-3-methylcyclobutyl)-3-oxopyrido[2,3-b]pyrazin-7-yl]oxyethyl]spiro[1H-indole-3,4'-piperidine]-2-one (PubChem CID 168997390) has the molecular formula C26H28ClN5O4 and a molecular weight of 509.99 g/mol. Its IUPAC name is 5-chloro-1'-[2-[4-(3-hydroxy-3-methylcyclobutyl)-3-oxopyrido[2,3-b]pyrazin-7-yl]oxyethyl]spiro[1H-indole-3,4'-piperidine]-2-one.

Molecular Properties

• Compound Name: 5-chloro-1'-[2-[4-(3-hydroxy-3-methylcyclobutyl)-3-oxopyrido[2,3-b]pyrazin-7-yl]oxyethyl]spiro[1H-indole-3,4'-piperidine]-2-one
• PubChem CID: 168997390
• Molecular Formula: C26H28ClN5O4
• Molecular Weight: 509.99 g/mol
• Exact Mass: 509.18
• IUPAC Name: 5-chloro-1'-[2-[4-(3-hydroxy-3-methylcyclobutyl)-3-oxopyrido[2,3-b]pyrazin-7-yl]oxyethyl]spiro[1H-indole-3,4'-piperidine]-2-one
• SMILES: CC1(O)CC(n2c(=O)cnc3cc(OCCN4CCC5(CC4)C(=O)Nc4ccc(Cl)cc45)cnc32)C1
• InChI: InChI=1S/C26H28ClN5O4/c1-25(35)12-17(13-25)32-22(33)15-28-21-11-18(14-29-23(21)32)36-9-8-31-6-4-26(5-7-31)19-10-16(27)2-3-20(19)30-24(26)34/h2-3,10-11,14-15,17,35H,4-9,12-13H2,1H3,(H,30,34)
• InChIKey: MVCODZRVWIJJEE-UHFFFAOYSA-N
• XLogP: 2.90
• TPSA: 109.58 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	509.99
LogP ≤ 5	2.90
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1'-[2-[4-(3-hydroxy-3-methylcyclobutyl)-3-oxopyrido[2,3-b]pyrazin-7-yl]oxyethyl]spiro[1H-indole-3,4'-piperidine]-2-one?

The IUPAC name of 5-chloro-1'-[2-[4-(3-hydroxy-3-methylcyclobutyl)-3-oxopyrido[2,3-b]pyrazin-7-yl]oxyethyl]spiro[1H-indole-3,4'-piperidine]-2-one (CID 168997390) is 5-chloro-1'-[2-[4-(3-hydroxy-3-methylcyclobutyl)-3-oxopyrido[2,3-b]pyrazin-7-yl]oxyethyl]spiro[1H-indole-3,4'-piperidine]-2-one.

What is the SMILES notation for 5-chloro-1'-[2-[4-(3-hydroxy-3-methylcyclobutyl)-3-oxopyrido[2,3-b]pyrazin-7-yl]oxyethyl]spiro[1H-indole-3,4'-piperidine]-2-one?

The canonical SMILES for 5-chloro-1'-[2-[4-(3-hydroxy-3-methylcyclobutyl)-3-oxopyrido[2,3-b]pyrazin-7-yl]oxyethyl]spiro[1H-indole-3,4'-piperidine]-2-one is CC1(O)CC(n2c(=O)cnc3cc(OCCN4CCC5(CC4)C(=O)Nc4ccc(Cl)cc45)cnc32)C1.

What is the InChIKey of 5-chloro-1'-[2-[4-(3-hydroxy-3-methylcyclobutyl)-3-oxopyrido[2,3-b]pyrazin-7-yl]oxyethyl]spiro[1H-indole-3,4'-piperidine]-2-one?

The InChIKey is MVCODZRVWIJJEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28ClN5O4/c1-25(35)12-17(13-25)32-22(33)15-28-21-11-18(14-29-23(21)32)36-9-8-31-6-4-26(5-7-31)19-10-16(27)2-3-20(19)30-24(26)34/h2-3,10-11,14-15,17,35H,4-9,12-13H2,1H3,(H,30,34).

What are the key properties of 5-chloro-1'-[2-[4-(3-hydroxy-3-methylcyclobutyl)-3-oxopyrido[2,3-b]pyrazin-7-yl]oxyethyl]spiro[1H-indole-3,4'-piperidine]-2-one?

5-chloro-1'-[2-[4-(3-hydroxy-3-methylcyclobutyl)-3-oxopyrido[2,3-b]pyrazin-7-yl]oxyethyl]spiro[1H-indole-3,4'-piperidine]-2-one has a molecular weight of 509.99 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-1'-[2-[4-(3-hydroxy-3-methylcyclobutyl)-3-oxopyrido[2,3-b]pyrazin-7-yl]oxyethyl]spiro[1H-indole-3,4'-piperidine]-2-one is sourced from PubChem (CID 168997390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).