1'-(pyrazin-2-ylmethyl)-1-quinolin-3-ylspiro[indole-3,4'-piperidine]-2-one

C26H23N5O — CID 57386006

IUPAC1'-(pyrazin-2-ylmethyl)-1-quinolin-3-ylspiro[indole-3,4'-piperidine]-2-one
SMILESO=C1N(c2cnc3ccccc3c2)c2ccccc2C12CCN(Cc1cnccn1)CC2
InChIInChI=1S/C26H23N5O/c32-25-26(9-13-30(14-10-26)18-20-16-27-11-12-28-20)22-6-2-4-8-24(22)31(25)21-15-19-5-1-3-7-23(19)29-17-21/h1-8,11-12,15-17H,9-10,13-14,18H2
InChIKeyVPYJFTGSBOEDQH-UHFFFAOYSA-N
MW421.50 g/mol
LogP4.24
Rot. Bonds3

About 1'-(pyrazin-2-ylmethyl)-1-quinolin-3-ylspiro[indole-3,4'-piperidine]-2-one

1'-(pyrazin-2-ylmethyl)-1-quinolin-3-ylspiro[indole-3,4'-piperidine]-2-one (PubChem CID 57386006) has the molecular formula C26H23N5O and a molecular weight of 421.50 g/mol. Its IUPAC name is 1'-(pyrazin-2-ylmethyl)-1-quinolin-3-ylspiro[indole-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name1'-(pyrazin-2-ylmethyl)-1-quinolin-3-ylspiro[indole-3,4'-piperidine]-2-one
PubChem CID57386006
Molecular FormulaC26H23N5O
Molecular Weight421.50 g/mol
Exact Mass421.19
IUPAC Name1'-(pyrazin-2-ylmethyl)-1-quinolin-3-ylspiro[indole-3,4'-piperidine]-2-one
SMILESO=C1N(c2cnc3ccccc3c2)c2ccccc2C12CCN(Cc1cnccn1)CC2
InChIInChI=1S/C26H23N5O/c32-25-26(9-13-30(14-10-26)18-20-16-27-11-12-28-20)22-6-2-4-8-24(22)31(25)21-15-19-5-1-3-7-23(19)29-17-21/h1-8,11-12,15-17H,9-10,13-14,18H2
InChIKeyVPYJFTGSBOEDQH-UHFFFAOYSA-N
XLogP4.24
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1'-(pyrazin-2-ylmethyl)-1-quinolin-3-ylspiro[indole-3,4'-piperidine]-2-one?
The IUPAC name of 1'-(pyrazin-2-ylmethyl)-1-quinolin-3-ylspiro[indole-3,4'-piperidine]-2-one (CID 57386006) is 1'-(pyrazin-2-ylmethyl)-1-quinolin-3-ylspiro[indole-3,4'-piperidine]-2-one.
What is the SMILES notation for 1'-(pyrazin-2-ylmethyl)-1-quinolin-3-ylspiro[indole-3,4'-piperidine]-2-one?
The canonical SMILES for 1'-(pyrazin-2-ylmethyl)-1-quinolin-3-ylspiro[indole-3,4'-piperidine]-2-one is O=C1N(c2cnc3ccccc3c2)c2ccccc2C12CCN(Cc1cnccn1)CC2.
What is the InChIKey of 1'-(pyrazin-2-ylmethyl)-1-quinolin-3-ylspiro[indole-3,4'-piperidine]-2-one?
The InChIKey is VPYJFTGSBOEDQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N5O/c32-25-26(9-13-30(14-10-26)18-20-16-27-11-12-28-20)22-6-2-4-8-24(22)31(25)21-15-19-5-1-3-7-23(19)29-17-21/h1-8,11-12,15-17H,9-10,13-14,18H2.
What are the key properties of 1'-(pyrazin-2-ylmethyl)-1-quinolin-3-ylspiro[indole-3,4'-piperidine]-2-one?
1'-(pyrazin-2-ylmethyl)-1-quinolin-3-ylspiro[indole-3,4'-piperidine]-2-one has a molecular weight of 421.50 g/mol, XLogP of 4.24, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(pyrazin-2-ylmethyl)-1-quinolin-3-ylspiro[indole-3,4'-piperidine]-2-one is sourced from PubChem (CID 57386006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).