1'-[5-(2,3-dichlorophenyl)-6-methylpyrazin-2-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine

C23H23Cl2N5 — CID 146538409

IUPAC1'-[5-(2,3-dichlorophenyl)-6-methylpyrazin-2-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine
SMILESCc1nc(N2CCC3(CC2)Cc2ncccc2C3N)cnc1-c1cccc(Cl)c1Cl
InChIInChI=1S/C23H23Cl2N5/c1-14-21(16-4-2-6-17(24)20(16)25)28-13-19(29-14)30-10-7-23(8-11-30)12-18-15(22(23)26)5-3-9-27-18/h2-6,9,13,22H,7-8,10-12,26H2,1H3
InChIKeyGLVLMOFQACORDR-UHFFFAOYSA-N
MW440.38 g/mol
LogP5.00
Rot. Bonds2

About 1'-[5-(2,3-dichlorophenyl)-6-methylpyrazin-2-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine

1'-[5-(2,3-dichlorophenyl)-6-methylpyrazin-2-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine (PubChem CID 146538409) has the molecular formula C23H23Cl2N5 and a molecular weight of 440.38 g/mol. Its IUPAC name is 1'-[5-(2,3-dichlorophenyl)-6-methylpyrazin-2-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine.

Molecular Properties

Compound Name1'-[5-(2,3-dichlorophenyl)-6-methylpyrazin-2-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine
PubChem CID146538409
Molecular FormulaC23H23Cl2N5
Molecular Weight440.38 g/mol
Exact Mass439.13
IUPAC Name1'-[5-(2,3-dichlorophenyl)-6-methylpyrazin-2-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine
SMILESCc1nc(N2CCC3(CC2)Cc2ncccc2C3N)cnc1-c1cccc(Cl)c1Cl
InChIInChI=1S/C23H23Cl2N5/c1-14-21(16-4-2-6-17(24)20(16)25)28-13-19(29-14)30-10-7-23(8-11-30)12-18-15(22(23)26)5-3-9-27-18/h2-6,9,13,22H,7-8,10-12,26H2,1H3
InChIKeyGLVLMOFQACORDR-UHFFFAOYSA-N
XLogP5.00
TPSA67.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.38
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1'-[5-(2,3-dichlorophenyl)-6-methylpyrazin-2-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine?
The IUPAC name of 1'-[5-(2,3-dichlorophenyl)-6-methylpyrazin-2-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine (CID 146538409) is 1'-[5-(2,3-dichlorophenyl)-6-methylpyrazin-2-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine.
What is the SMILES notation for 1'-[5-(2,3-dichlorophenyl)-6-methylpyrazin-2-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine?
The canonical SMILES for 1'-[5-(2,3-dichlorophenyl)-6-methylpyrazin-2-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine is Cc1nc(N2CCC3(CC2)Cc2ncccc2C3N)cnc1-c1cccc(Cl)c1Cl.
What is the InChIKey of 1'-[5-(2,3-dichlorophenyl)-6-methylpyrazin-2-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine?
The InChIKey is GLVLMOFQACORDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23Cl2N5/c1-14-21(16-4-2-6-17(24)20(16)25)28-13-19(29-14)30-10-7-23(8-11-30)12-18-15(22(23)26)5-3-9-27-18/h2-6,9,13,22H,7-8,10-12,26H2,1H3.
What are the key properties of 1'-[5-(2,3-dichlorophenyl)-6-methylpyrazin-2-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine?
1'-[5-(2,3-dichlorophenyl)-6-methylpyrazin-2-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine has a molecular weight of 440.38 g/mol, XLogP of 5.00, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[5-(2,3-dichlorophenyl)-6-methylpyrazin-2-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine is sourced from PubChem (CID 146538409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).