6-[3-(dimethylamino)phenoxy]-5-methoxy-1'-pyrazin-2-ylspiro[1H-indole-3,4'-piperidine]-2-one

C25H27N5O3 — CID 134806829

IUPAC6-[3-(dimethylamino)phenoxy]-5-methoxy-1'-pyrazin-2-ylspiro[1H-indole-3,4'-piperidine]-2-one
SMILESCOc1cc2c(cc1Oc1cccc(N(C)C)c1)NC(=O)C21CCN(c2cnccn2)CC1
InChIInChI=1S/C25H27N5O3/c1-29(2)17-5-4-6-18(13-17)33-22-15-20-19(14-21(22)32-3)25(24(31)28-20)7-11-30(12-8-25)23-16-26-9-10-27-23/h4-6,9-10,13-16H,7-8,11-12H2,1-3H3,(H,28,31)
InChIKeyHYGFCMYABMNCES-UHFFFAOYSA-N
MW445.52 g/mol
LogP3.83
Rot. Bonds5

About 6-[3-(dimethylamino)phenoxy]-5-methoxy-1'-pyrazin-2-ylspiro[1H-indole-3,4'-piperidine]-2-one

6-[3-(dimethylamino)phenoxy]-5-methoxy-1'-pyrazin-2-ylspiro[1H-indole-3,4'-piperidine]-2-one (PubChem CID 134806829) has the molecular formula C25H27N5O3 and a molecular weight of 445.52 g/mol. Its IUPAC name is 6-[3-(dimethylamino)phenoxy]-5-methoxy-1'-pyrazin-2-ylspiro[1H-indole-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name6-[3-(dimethylamino)phenoxy]-5-methoxy-1'-pyrazin-2-ylspiro[1H-indole-3,4'-piperidine]-2-one
PubChem CID134806829
Molecular FormulaC25H27N5O3
Molecular Weight445.52 g/mol
Exact Mass445.21
IUPAC Name6-[3-(dimethylamino)phenoxy]-5-methoxy-1'-pyrazin-2-ylspiro[1H-indole-3,4'-piperidine]-2-one
SMILESCOc1cc2c(cc1Oc1cccc(N(C)C)c1)NC(=O)C21CCN(c2cnccn2)CC1
InChIInChI=1S/C25H27N5O3/c1-29(2)17-5-4-6-18(13-17)33-22-15-20-19(14-21(22)32-3)25(24(31)28-20)7-11-30(12-8-25)23-16-26-9-10-27-23/h4-6,9-10,13-16H,7-8,11-12H2,1-3H3,(H,28,31)
InChIKeyHYGFCMYABMNCES-UHFFFAOYSA-N
XLogP3.83
TPSA79.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.52
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[3-(dimethylamino)phenoxy]-5-methoxy-1'-pyrazin-2-ylspiro[1H-indole-3,4'-piperidine]-2-one?
The IUPAC name of 6-[3-(dimethylamino)phenoxy]-5-methoxy-1'-pyrazin-2-ylspiro[1H-indole-3,4'-piperidine]-2-one (CID 134806829) is 6-[3-(dimethylamino)phenoxy]-5-methoxy-1'-pyrazin-2-ylspiro[1H-indole-3,4'-piperidine]-2-one.
What is the SMILES notation for 6-[3-(dimethylamino)phenoxy]-5-methoxy-1'-pyrazin-2-ylspiro[1H-indole-3,4'-piperidine]-2-one?
The canonical SMILES for 6-[3-(dimethylamino)phenoxy]-5-methoxy-1'-pyrazin-2-ylspiro[1H-indole-3,4'-piperidine]-2-one is COc1cc2c(cc1Oc1cccc(N(C)C)c1)NC(=O)C21CCN(c2cnccn2)CC1.
What is the InChIKey of 6-[3-(dimethylamino)phenoxy]-5-methoxy-1'-pyrazin-2-ylspiro[1H-indole-3,4'-piperidine]-2-one?
The InChIKey is HYGFCMYABMNCES-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O3/c1-29(2)17-5-4-6-18(13-17)33-22-15-20-19(14-21(22)32-3)25(24(31)28-20)7-11-30(12-8-25)23-16-26-9-10-27-23/h4-6,9-10,13-16H,7-8,11-12H2,1-3H3,(H,28,31).
What are the key properties of 6-[3-(dimethylamino)phenoxy]-5-methoxy-1'-pyrazin-2-ylspiro[1H-indole-3,4'-piperidine]-2-one?
6-[3-(dimethylamino)phenoxy]-5-methoxy-1'-pyrazin-2-ylspiro[1H-indole-3,4'-piperidine]-2-one has a molecular weight of 445.52 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(dimethylamino)phenoxy]-5-methoxy-1'-pyrazin-2-ylspiro[1H-indole-3,4'-piperidine]-2-one is sourced from PubChem (CID 134806829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).