[6-(2,3-dichlorophenyl)-5-methyl-3-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylpyrazin-2-yl]methanol

C25H25Cl2N3O — CID 152847395

IUPAC[6-(2,3-dichlorophenyl)-5-methyl-3-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylpyrazin-2-yl]methanol
SMILESCc1nc(N2CCC3(CC2)Cc2ccccc2C3)c(CO)nc1-c1cccc(Cl)c1Cl
InChIInChI=1S/C25H25Cl2N3O/c1-16-23(19-7-4-8-20(26)22(19)27)29-21(15-31)24(28-16)30-11-9-25(10-12-30)13-17-5-2-3-6-18(17)14-25/h2-8,31H,9-15H2,1H3
InChIKeyTUKJYZAHLJEPJS-UHFFFAOYSA-N
MW454.40 g/mol
LogP5.64
Rot. Bonds3

About [6-(2,3-dichlorophenyl)-5-methyl-3-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylpyrazin-2-yl]methanol

[6-(2,3-dichlorophenyl)-5-methyl-3-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylpyrazin-2-yl]methanol (PubChem CID 152847395) has the molecular formula C25H25Cl2N3O and a molecular weight of 454.40 g/mol. Its IUPAC name is [6-(2,3-dichlorophenyl)-5-methyl-3-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylpyrazin-2-yl]methanol.

Molecular Properties

Compound Name[6-(2,3-dichlorophenyl)-5-methyl-3-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylpyrazin-2-yl]methanol
PubChem CID152847395
Molecular FormulaC25H25Cl2N3O
Molecular Weight454.40 g/mol
Exact Mass453.14
IUPAC Name[6-(2,3-dichlorophenyl)-5-methyl-3-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylpyrazin-2-yl]methanol
SMILESCc1nc(N2CCC3(CC2)Cc2ccccc2C3)c(CO)nc1-c1cccc(Cl)c1Cl
InChIInChI=1S/C25H25Cl2N3O/c1-16-23(19-7-4-8-20(26)22(19)27)29-21(15-31)24(28-16)30-11-9-25(10-12-30)13-17-5-2-3-6-18(17)14-25/h2-8,31H,9-15H2,1H3
InChIKeyTUKJYZAHLJEPJS-UHFFFAOYSA-N
XLogP5.64
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.40
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [6-(2,3-dichlorophenyl)-5-methyl-3-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylpyrazin-2-yl]methanol?
The IUPAC name of [6-(2,3-dichlorophenyl)-5-methyl-3-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylpyrazin-2-yl]methanol (CID 152847395) is [6-(2,3-dichlorophenyl)-5-methyl-3-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylpyrazin-2-yl]methanol.
What is the SMILES notation for [6-(2,3-dichlorophenyl)-5-methyl-3-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylpyrazin-2-yl]methanol?
The canonical SMILES for [6-(2,3-dichlorophenyl)-5-methyl-3-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylpyrazin-2-yl]methanol is Cc1nc(N2CCC3(CC2)Cc2ccccc2C3)c(CO)nc1-c1cccc(Cl)c1Cl.
What is the InChIKey of [6-(2,3-dichlorophenyl)-5-methyl-3-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylpyrazin-2-yl]methanol?
The InChIKey is TUKJYZAHLJEPJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25Cl2N3O/c1-16-23(19-7-4-8-20(26)22(19)27)29-21(15-31)24(28-16)30-11-9-25(10-12-30)13-17-5-2-3-6-18(17)14-25/h2-8,31H,9-15H2,1H3.
What are the key properties of [6-(2,3-dichlorophenyl)-5-methyl-3-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylpyrazin-2-yl]methanol?
[6-(2,3-dichlorophenyl)-5-methyl-3-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylpyrazin-2-yl]methanol has a molecular weight of 454.40 g/mol, XLogP of 5.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2,3-dichlorophenyl)-5-methyl-3-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylpyrazin-2-yl]methanol is sourced from PubChem (CID 152847395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).