4-[6-(cyclohexen-1-yl)-8-[(3-methyl-1,2-thiazol-5-yl)amino]imidazo[1,2-a]pyrazin-3-yl]furan-2-carbonitrile

C21H18N6OS — CID 58364892

IUPAC4-[6-(cyclohexen-1-yl)-8-[(3-methyl-1,2-thiazol-5-yl)amino]imidazo[1,2-a]pyrazin-3-yl]furan-2-carbonitrile
SMILESCc1cc(Nc2nc(C3=CCCCC3)cn3c(-c4coc(C#N)c4)cnc23)sn1
InChIInChI=1S/C21H18N6OS/c1-13-7-19(29-26-13)25-20-21-23-10-18(15-8-16(9-22)28-12-15)27(21)11-17(24-20)14-5-3-2-4-6-14/h5,7-8,10-12H,2-4,6H2,1H3,(H,24,25)
InChIKeyDDFZMMKRNURIPQ-UHFFFAOYSA-N
MW402.48 g/mol
LogP5.33
Rot. Bonds4

About 4-[6-(cyclohexen-1-yl)-8-[(3-methyl-1,2-thiazol-5-yl)amino]imidazo[1,2-a]pyrazin-3-yl]furan-2-carbonitrile

4-[6-(cyclohexen-1-yl)-8-[(3-methyl-1,2-thiazol-5-yl)amino]imidazo[1,2-a]pyrazin-3-yl]furan-2-carbonitrile (PubChem CID 58364892) has the molecular formula C21H18N6OS and a molecular weight of 402.48 g/mol. Its IUPAC name is 4-[6-(cyclohexen-1-yl)-8-[(3-methyl-1,2-thiazol-5-yl)amino]imidazo[1,2-a]pyrazin-3-yl]furan-2-carbonitrile.

Molecular Properties

Compound Name4-[6-(cyclohexen-1-yl)-8-[(3-methyl-1,2-thiazol-5-yl)amino]imidazo[1,2-a]pyrazin-3-yl]furan-2-carbonitrile
PubChem CID58364892
Molecular FormulaC21H18N6OS
Molecular Weight402.48 g/mol
Exact Mass402.13
IUPAC Name4-[6-(cyclohexen-1-yl)-8-[(3-methyl-1,2-thiazol-5-yl)amino]imidazo[1,2-a]pyrazin-3-yl]furan-2-carbonitrile
SMILESCc1cc(Nc2nc(C3=CCCCC3)cn3c(-c4coc(C#N)c4)cnc23)sn1
InChIInChI=1S/C21H18N6OS/c1-13-7-19(29-26-13)25-20-21-23-10-18(15-8-16(9-22)28-12-15)27(21)11-17(24-20)14-5-3-2-4-6-14/h5,7-8,10-12H,2-4,6H2,1H3,(H,24,25)
InChIKeyDDFZMMKRNURIPQ-UHFFFAOYSA-N
XLogP5.33
TPSA92.04 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.48
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-[6-(cyclohexen-1-yl)-8-[(3-methyl-1,2-thiazol-5-yl)amino]imidazo[1,2-a]pyrazin-3-yl]furan-2-carbonitrile with MolForge

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Related Compounds

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N-benzyl-2-(furan-3-yl)-6-methylimidazo[1,2-a]pyridin-3-amine
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US11673894, Ex. No. 6
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2-(furan-3-yl)-N-(2-methylnonan-2-yl)imidazo[1,2-a]pyridin-3-amine
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Frequently Asked Questions

What is the IUPAC name of 4-[6-(cyclohexen-1-yl)-8-[(3-methyl-1,2-thiazol-5-yl)amino]imidazo[1,2-a]pyrazin-3-yl]furan-2-carbonitrile?
The IUPAC name of 4-[6-(cyclohexen-1-yl)-8-[(3-methyl-1,2-thiazol-5-yl)amino]imidazo[1,2-a]pyrazin-3-yl]furan-2-carbonitrile (CID 58364892) is 4-[6-(cyclohexen-1-yl)-8-[(3-methyl-1,2-thiazol-5-yl)amino]imidazo[1,2-a]pyrazin-3-yl]furan-2-carbonitrile.
What is the SMILES notation for 4-[6-(cyclohexen-1-yl)-8-[(3-methyl-1,2-thiazol-5-yl)amino]imidazo[1,2-a]pyrazin-3-yl]furan-2-carbonitrile?
The canonical SMILES for 4-[6-(cyclohexen-1-yl)-8-[(3-methyl-1,2-thiazol-5-yl)amino]imidazo[1,2-a]pyrazin-3-yl]furan-2-carbonitrile is Cc1cc(Nc2nc(C3=CCCCC3)cn3c(-c4coc(C#N)c4)cnc23)sn1.
What is the InChIKey of 4-[6-(cyclohexen-1-yl)-8-[(3-methyl-1,2-thiazol-5-yl)amino]imidazo[1,2-a]pyrazin-3-yl]furan-2-carbonitrile?
The InChIKey is DDFZMMKRNURIPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N6OS/c1-13-7-19(29-26-13)25-20-21-23-10-18(15-8-16(9-22)28-12-15)27(21)11-17(24-20)14-5-3-2-4-6-14/h5,7-8,10-12H,2-4,6H2,1H3,(H,24,25).
What are the key properties of 4-[6-(cyclohexen-1-yl)-8-[(3-methyl-1,2-thiazol-5-yl)amino]imidazo[1,2-a]pyrazin-3-yl]furan-2-carbonitrile?
4-[6-(cyclohexen-1-yl)-8-[(3-methyl-1,2-thiazol-5-yl)amino]imidazo[1,2-a]pyrazin-3-yl]furan-2-carbonitrile has a molecular weight of 402.48 g/mol, XLogP of 5.33, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(cyclohexen-1-yl)-8-[(3-methyl-1,2-thiazol-5-yl)amino]imidazo[1,2-a]pyrazin-3-yl]furan-2-carbonitrile is sourced from PubChem (CID 58364892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).