5-methoxy-1'-pyridin-2-yl-6-(pyridin-4-ylmethoxy)spiro[1H-indole-3,4'-piperidine]-2-one

C24H24N4O3 — CID 134809813

IUPAC5-methoxy-1'-pyridin-2-yl-6-(pyridin-4-ylmethoxy)spiro[1H-indole-3,4'-piperidine]-2-one
SMILESCOc1cc2c(cc1OCc1ccncc1)NC(=O)C21CCN(c2ccccn2)CC1
InChIInChI=1S/C24H24N4O3/c1-30-20-14-18-19(15-21(20)31-16-17-5-10-25-11-6-17)27-23(29)24(18)7-12-28(13-8-24)22-4-2-3-9-26-22/h2-6,9-11,14-15H,7-8,12-13,16H2,1H3,(H,27,29)
InChIKeyVRLLOJLYGATOTB-UHFFFAOYSA-N
MW416.48 g/mol
LogP3.55
Rot. Bonds5

About 5-methoxy-1'-pyridin-2-yl-6-(pyridin-4-ylmethoxy)spiro[1H-indole-3,4'-piperidine]-2-one

5-methoxy-1'-pyridin-2-yl-6-(pyridin-4-ylmethoxy)spiro[1H-indole-3,4'-piperidine]-2-one (PubChem CID 134809813) has the molecular formula C24H24N4O3 and a molecular weight of 416.48 g/mol. Its IUPAC name is 5-methoxy-1'-pyridin-2-yl-6-(pyridin-4-ylmethoxy)spiro[1H-indole-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name5-methoxy-1'-pyridin-2-yl-6-(pyridin-4-ylmethoxy)spiro[1H-indole-3,4'-piperidine]-2-one
PubChem CID134809813
Molecular FormulaC24H24N4O3
Molecular Weight416.48 g/mol
Exact Mass416.18
IUPAC Name5-methoxy-1'-pyridin-2-yl-6-(pyridin-4-ylmethoxy)spiro[1H-indole-3,4'-piperidine]-2-one
SMILESCOc1cc2c(cc1OCc1ccncc1)NC(=O)C21CCN(c2ccccn2)CC1
InChIInChI=1S/C24H24N4O3/c1-30-20-14-18-19(15-21(20)31-16-17-5-10-25-11-6-17)27-23(29)24(18)7-12-28(13-8-24)22-4-2-3-9-26-22/h2-6,9-11,14-15H,7-8,12-13,16H2,1H3,(H,27,29)
InChIKeyVRLLOJLYGATOTB-UHFFFAOYSA-N
XLogP3.55
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1'-pyridin-2-yl-6-(pyridin-4-ylmethoxy)spiro[1H-indole-3,4'-piperidine]-2-one?
The IUPAC name of 5-methoxy-1'-pyridin-2-yl-6-(pyridin-4-ylmethoxy)spiro[1H-indole-3,4'-piperidine]-2-one (CID 134809813) is 5-methoxy-1'-pyridin-2-yl-6-(pyridin-4-ylmethoxy)spiro[1H-indole-3,4'-piperidine]-2-one.
What is the SMILES notation for 5-methoxy-1'-pyridin-2-yl-6-(pyridin-4-ylmethoxy)spiro[1H-indole-3,4'-piperidine]-2-one?
The canonical SMILES for 5-methoxy-1'-pyridin-2-yl-6-(pyridin-4-ylmethoxy)spiro[1H-indole-3,4'-piperidine]-2-one is COc1cc2c(cc1OCc1ccncc1)NC(=O)C21CCN(c2ccccn2)CC1.
What is the InChIKey of 5-methoxy-1'-pyridin-2-yl-6-(pyridin-4-ylmethoxy)spiro[1H-indole-3,4'-piperidine]-2-one?
The InChIKey is VRLLOJLYGATOTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O3/c1-30-20-14-18-19(15-21(20)31-16-17-5-10-25-11-6-17)27-23(29)24(18)7-12-28(13-8-24)22-4-2-3-9-26-22/h2-6,9-11,14-15H,7-8,12-13,16H2,1H3,(H,27,29).
What are the key properties of 5-methoxy-1'-pyridin-2-yl-6-(pyridin-4-ylmethoxy)spiro[1H-indole-3,4'-piperidine]-2-one?
5-methoxy-1'-pyridin-2-yl-6-(pyridin-4-ylmethoxy)spiro[1H-indole-3,4'-piperidine]-2-one has a molecular weight of 416.48 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1'-pyridin-2-yl-6-(pyridin-4-ylmethoxy)spiro[1H-indole-3,4'-piperidine]-2-one is sourced from PubChem (CID 134809813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).