1'-[5-(2,3-dichlorophenyl)-3-(hydroxymethyl)-6-methylpyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-5-carboxamide

C26H26Cl2N4O2 — CID 155401106

IUPAC1'-[5-(2,3-dichlorophenyl)-3-(hydroxymethyl)-6-methylpyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-5-carboxamide
SMILESCc1nc(N2CCC3(CC2)Cc2ccc(C(N)=O)cc2C3)c(CO)nc1-c1cccc(Cl)c1Cl
InChIInChI=1S/C26H26Cl2N4O2/c1-15-23(19-3-2-4-20(27)22(19)28)31-21(14-33)25(30-15)32-9-7-26(8-10-32)12-17-6-5-16(24(29)34)11-18(17)13-26/h2-6,11,33H,7-10,12-14H2,1H3,(H2,29,34)
InChIKeyLXNONSSGSQDADQ-UHFFFAOYSA-N
MW497.43 g/mol
LogP4.74
Rot. Bonds4

About 1'-[5-(2,3-dichlorophenyl)-3-(hydroxymethyl)-6-methylpyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-5-carboxamide

1'-[5-(2,3-dichlorophenyl)-3-(hydroxymethyl)-6-methylpyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-5-carboxamide (PubChem CID 155401106) has the molecular formula C26H26Cl2N4O2 and a molecular weight of 497.43 g/mol. Its IUPAC name is 1'-[5-(2,3-dichlorophenyl)-3-(hydroxymethyl)-6-methylpyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-5-carboxamide.

Molecular Properties

Compound Name1'-[5-(2,3-dichlorophenyl)-3-(hydroxymethyl)-6-methylpyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-5-carboxamide
PubChem CID155401106
Molecular FormulaC26H26Cl2N4O2
Molecular Weight497.43 g/mol
Exact Mass496.14
IUPAC Name1'-[5-(2,3-dichlorophenyl)-3-(hydroxymethyl)-6-methylpyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-5-carboxamide
SMILESCc1nc(N2CCC3(CC2)Cc2ccc(C(N)=O)cc2C3)c(CO)nc1-c1cccc(Cl)c1Cl
InChIInChI=1S/C26H26Cl2N4O2/c1-15-23(19-3-2-4-20(27)22(19)28)31-21(14-33)25(30-15)32-9-7-26(8-10-32)12-17-6-5-16(24(29)34)11-18(17)13-26/h2-6,11,33H,7-10,12-14H2,1H3,(H2,29,34)
InChIKeyLXNONSSGSQDADQ-UHFFFAOYSA-N
XLogP4.74
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.43
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1'-[5-(2,3-dichlorophenyl)-3-(hydroxymethyl)-6-methylpyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1'-[5-(2,3-dichlorophenyl)-3-(hydroxymethyl)-6-methylpyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-5-carboxamide?
The IUPAC name of 1'-[5-(2,3-dichlorophenyl)-3-(hydroxymethyl)-6-methylpyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-5-carboxamide (CID 155401106) is 1'-[5-(2,3-dichlorophenyl)-3-(hydroxymethyl)-6-methylpyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-5-carboxamide.
What is the SMILES notation for 1'-[5-(2,3-dichlorophenyl)-3-(hydroxymethyl)-6-methylpyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-5-carboxamide?
The canonical SMILES for 1'-[5-(2,3-dichlorophenyl)-3-(hydroxymethyl)-6-methylpyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-5-carboxamide is Cc1nc(N2CCC3(CC2)Cc2ccc(C(N)=O)cc2C3)c(CO)nc1-c1cccc(Cl)c1Cl.
What is the InChIKey of 1'-[5-(2,3-dichlorophenyl)-3-(hydroxymethyl)-6-methylpyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-5-carboxamide?
The InChIKey is LXNONSSGSQDADQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26Cl2N4O2/c1-15-23(19-3-2-4-20(27)22(19)28)31-21(14-33)25(30-15)32-9-7-26(8-10-32)12-17-6-5-16(24(29)34)11-18(17)13-26/h2-6,11,33H,7-10,12-14H2,1H3,(H2,29,34).
What are the key properties of 1'-[5-(2,3-dichlorophenyl)-3-(hydroxymethyl)-6-methylpyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-5-carboxamide?
1'-[5-(2,3-dichlorophenyl)-3-(hydroxymethyl)-6-methylpyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-5-carboxamide has a molecular weight of 497.43 g/mol, XLogP of 4.74, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[5-(2,3-dichlorophenyl)-3-(hydroxymethyl)-6-methylpyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-5-carboxamide is sourced from PubChem (CID 155401106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).