4-[[3-[6-(2-thiophen-2-ylethyl)-2-pyridinyl]imidazo[1,2-a]pyrazin-8-yl]methyl]cyclohexan-1-amine;hydrochloride

C24H28ClN5S — CID 158829055

IUPAC4-[[3-[6-(2-thiophen-2-ylethyl)-2-pyridinyl]imidazo[1,2-a]pyrazin-8-yl]methyl]cyclohexan-1-amine;hydrochloride
SMILESCl.NC1CCC(Cc2nccn3c(-c4cccc(CCc5cccs5)n4)cnc23)CC1
InChIInChI=1S/C24H27N5S.ClH/c25-18-8-6-17(7-9-18)15-22-24-27-16-23(29(24)13-12-26-22)21-5-1-3-19(28-21)10-11-20-4-2-14-30-20;/h1-5,12-14,16-18H,6-11,15,25H2;1H
InChIKeyJOXLZAFEDACDCL-UHFFFAOYSA-N
MW454.04 g/mol
LogP5.12
Rot. Bonds6

About 4-[[3-[6-(2-thiophen-2-ylethyl)-2-pyridinyl]imidazo[1,2-a]pyrazin-8-yl]methyl]cyclohexan-1-amine;hydrochloride

4-[[3-[6-(2-thiophen-2-ylethyl)-2-pyridinyl]imidazo[1,2-a]pyrazin-8-yl]methyl]cyclohexan-1-amine;hydrochloride (PubChem CID 158829055) has the molecular formula C24H28ClN5S and a molecular weight of 454.04 g/mol. Its IUPAC name is 4-[[3-[6-(2-thiophen-2-ylethyl)-2-pyridinyl]imidazo[1,2-a]pyrazin-8-yl]methyl]cyclohexan-1-amine;hydrochloride.

Molecular Properties

Compound Name4-[[3-[6-(2-thiophen-2-ylethyl)-2-pyridinyl]imidazo[1,2-a]pyrazin-8-yl]methyl]cyclohexan-1-amine;hydrochloride
PubChem CID158829055
Molecular FormulaC24H28ClN5S
Molecular Weight454.04 g/mol
Exact Mass453.18
IUPAC Name4-[[3-[6-(2-thiophen-2-ylethyl)-2-pyridinyl]imidazo[1,2-a]pyrazin-8-yl]methyl]cyclohexan-1-amine;hydrochloride
SMILESCl.NC1CCC(Cc2nccn3c(-c4cccc(CCc5cccs5)n4)cnc23)CC1
InChIInChI=1S/C24H27N5S.ClH/c25-18-8-6-17(7-9-18)15-22-24-27-16-23(29(24)13-12-26-22)21-5-1-3-19(28-21)10-11-20-4-2-14-30-20;/h1-5,12-14,16-18H,6-11,15,25H2;1H
InChIKeyJOXLZAFEDACDCL-UHFFFAOYSA-N
XLogP5.12
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.04
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-[6-(2-thiophen-2-ylethyl)-2-pyridinyl]imidazo[1,2-a]pyrazin-8-yl]methyl]cyclohexan-1-amine;hydrochloride?
The IUPAC name of 4-[[3-[6-(2-thiophen-2-ylethyl)-2-pyridinyl]imidazo[1,2-a]pyrazin-8-yl]methyl]cyclohexan-1-amine;hydrochloride (CID 158829055) is 4-[[3-[6-(2-thiophen-2-ylethyl)-2-pyridinyl]imidazo[1,2-a]pyrazin-8-yl]methyl]cyclohexan-1-amine;hydrochloride.
What is the SMILES notation for 4-[[3-[6-(2-thiophen-2-ylethyl)-2-pyridinyl]imidazo[1,2-a]pyrazin-8-yl]methyl]cyclohexan-1-amine;hydrochloride?
The canonical SMILES for 4-[[3-[6-(2-thiophen-2-ylethyl)-2-pyridinyl]imidazo[1,2-a]pyrazin-8-yl]methyl]cyclohexan-1-amine;hydrochloride is Cl.NC1CCC(Cc2nccn3c(-c4cccc(CCc5cccs5)n4)cnc23)CC1.
What is the InChIKey of 4-[[3-[6-(2-thiophen-2-ylethyl)-2-pyridinyl]imidazo[1,2-a]pyrazin-8-yl]methyl]cyclohexan-1-amine;hydrochloride?
The InChIKey is JOXLZAFEDACDCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5S.ClH/c25-18-8-6-17(7-9-18)15-22-24-27-16-23(29(24)13-12-26-22)21-5-1-3-19(28-21)10-11-20-4-2-14-30-20;/h1-5,12-14,16-18H,6-11,15,25H2;1H.
What are the key properties of 4-[[3-[6-(2-thiophen-2-ylethyl)-2-pyridinyl]imidazo[1,2-a]pyrazin-8-yl]methyl]cyclohexan-1-amine;hydrochloride?
4-[[3-[6-(2-thiophen-2-ylethyl)-2-pyridinyl]imidazo[1,2-a]pyrazin-8-yl]methyl]cyclohexan-1-amine;hydrochloride has a molecular weight of 454.04 g/mol, XLogP of 5.12, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-[6-(2-thiophen-2-ylethyl)-2-pyridinyl]imidazo[1,2-a]pyrazin-8-yl]methyl]cyclohexan-1-amine;hydrochloride is sourced from PubChem (CID 158829055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).