6-(2,3-dichlorophenyl)-5-methyl-3-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylpyrazine-2-carboxamide

C25H24Cl2N4O — CID 155401025

IUPAC6-(2,3-dichlorophenyl)-5-methyl-3-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylpyrazine-2-carboxamide
SMILESCc1nc(N2CCC3(CC2)Cc2ccccc2C3)c(C(N)=O)nc1-c1cccc(Cl)c1Cl
InChIInChI=1S/C25H24Cl2N4O/c1-15-21(18-7-4-8-19(26)20(18)27)30-22(23(28)32)24(29-15)31-11-9-25(10-12-31)13-16-5-2-3-6-17(16)14-25/h2-8H,9-14H2,1H3,(H2,28,32)
InChIKeySRYUNEJQMAEYFX-UHFFFAOYSA-N
MW467.40 g/mol
LogP5.24
Rot. Bonds3

About 6-(2,3-dichlorophenyl)-5-methyl-3-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylpyrazine-2-carboxamide

6-(2,3-dichlorophenyl)-5-methyl-3-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylpyrazine-2-carboxamide (PubChem CID 155401025) has the molecular formula C25H24Cl2N4O and a molecular weight of 467.40 g/mol. Its IUPAC name is 6-(2,3-dichlorophenyl)-5-methyl-3-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylpyrazine-2-carboxamide.

Molecular Properties

Compound Name6-(2,3-dichlorophenyl)-5-methyl-3-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylpyrazine-2-carboxamide
PubChem CID155401025
Molecular FormulaC25H24Cl2N4O
Molecular Weight467.40 g/mol
Exact Mass466.13
IUPAC Name6-(2,3-dichlorophenyl)-5-methyl-3-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylpyrazine-2-carboxamide
SMILESCc1nc(N2CCC3(CC2)Cc2ccccc2C3)c(C(N)=O)nc1-c1cccc(Cl)c1Cl
InChIInChI=1S/C25H24Cl2N4O/c1-15-21(18-7-4-8-19(26)20(18)27)30-22(23(28)32)24(29-15)31-11-9-25(10-12-31)13-16-5-2-3-6-17(16)14-25/h2-8H,9-14H2,1H3,(H2,28,32)
InChIKeySRYUNEJQMAEYFX-UHFFFAOYSA-N
XLogP5.24
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.40
LogP ≤ 55.24
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'-ylpyrazine-2-carboxamide?
The IUPAC name of 6-(2,3-dichlorophenyl)-5-methyl-3-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylpyrazine-2-carboxamide (CID 155401025) is 6-(2,3-dichlorophenyl)-5-methyl-3-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylpyrazine-2-carboxamide.
What is the SMILES notation for 6-(2,3-dichlorophenyl)-5-methyl-3-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylpyrazine-2-carboxamide?
The canonical SMILES for 6-(2,3-dichlorophenyl)-5-methyl-3-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylpyrazine-2-carboxamide is Cc1nc(N2CCC3(CC2)Cc2ccccc2C3)c(C(N)=O)nc1-c1cccc(Cl)c1Cl.
What is the InChIKey of 6-(2,3-dichlorophenyl)-5-methyl-3-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylpyrazine-2-carboxamide?
The InChIKey is SRYUNEJQMAEYFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24Cl2N4O/c1-15-21(18-7-4-8-19(26)20(18)27)30-22(23(28)32)24(29-15)31-11-9-25(10-12-31)13-16-5-2-3-6-17(16)14-25/h2-8H,9-14H2,1H3,(H2,28,32).
What are the key properties of 6-(2,3-dichlorophenyl)-5-methyl-3-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylpyrazine-2-carboxamide?
6-(2,3-dichlorophenyl)-5-methyl-3-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylpyrazine-2-carboxamide has a molecular weight of 467.40 g/mol, XLogP of 5.24, 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'-ylpyrazine-2-carboxamide is sourced from PubChem (CID 155401025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).