[4-(8-amino-5-quinolin-6-ylimidazo[1,2-a]pyrazin-6-yl)thiophen-2-yl]methanol

C20H15N5OS — CID 137372652

IUPAC[4-(8-amino-5-quinolin-6-ylimidazo[1,2-a]pyrazin-6-yl)thiophen-2-yl]methanol
SMILESNc1nc(-c2csc(CO)c2)c(-c2ccc3ncccc3c2)n2ccnc12
InChIInChI=1S/C20H15N5OS/c21-19-20-23-6-7-25(20)18(17(24-19)14-9-15(10-26)27-11-14)13-3-4-16-12(8-13)2-1-5-22-16/h1-9,11,26H,10H2,(H2,21,24)
InChIKeyZAWBFFCEMZLKGS-UHFFFAOYSA-N
MW373.44 g/mol
LogP3.75
Rot. Bonds3

About [4-(8-amino-5-quinolin-6-ylimidazo[1,2-a]pyrazin-6-yl)thiophen-2-yl]methanol

[4-(8-amino-5-quinolin-6-ylimidazo[1,2-a]pyrazin-6-yl)thiophen-2-yl]methanol (PubChem CID 137372652) has the molecular formula C20H15N5OS and a molecular weight of 373.44 g/mol. Its IUPAC name is [4-(8-amino-5-quinolin-6-ylimidazo[1,2-a]pyrazin-6-yl)thiophen-2-yl]methanol.

Molecular Properties

Compound Name[4-(8-amino-5-quinolin-6-ylimidazo[1,2-a]pyrazin-6-yl)thiophen-2-yl]methanol
PubChem CID137372652
Molecular FormulaC20H15N5OS
Molecular Weight373.44 g/mol
Exact Mass373.10
IUPAC Name[4-(8-amino-5-quinolin-6-ylimidazo[1,2-a]pyrazin-6-yl)thiophen-2-yl]methanol
SMILESNc1nc(-c2csc(CO)c2)c(-c2ccc3ncccc3c2)n2ccnc12
InChIInChI=1S/C20H15N5OS/c21-19-20-23-6-7-25(20)18(17(24-19)14-9-15(10-26)27-11-14)13-3-4-16-12(8-13)2-1-5-22-16/h1-9,11,26H,10H2,(H2,21,24)
InChIKeyZAWBFFCEMZLKGS-UHFFFAOYSA-N
XLogP3.75
TPSA89.33 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.44
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [4-(8-amino-5-quinolin-6-ylimidazo[1,2-a]pyrazin-6-yl)thiophen-2-yl]methanol?
The IUPAC name of [4-(8-amino-5-quinolin-6-ylimidazo[1,2-a]pyrazin-6-yl)thiophen-2-yl]methanol (CID 137372652) is [4-(8-amino-5-quinolin-6-ylimidazo[1,2-a]pyrazin-6-yl)thiophen-2-yl]methanol.
What is the SMILES notation for [4-(8-amino-5-quinolin-6-ylimidazo[1,2-a]pyrazin-6-yl)thiophen-2-yl]methanol?
The canonical SMILES for [4-(8-amino-5-quinolin-6-ylimidazo[1,2-a]pyrazin-6-yl)thiophen-2-yl]methanol is Nc1nc(-c2csc(CO)c2)c(-c2ccc3ncccc3c2)n2ccnc12.
What is the InChIKey of [4-(8-amino-5-quinolin-6-ylimidazo[1,2-a]pyrazin-6-yl)thiophen-2-yl]methanol?
The InChIKey is ZAWBFFCEMZLKGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N5OS/c21-19-20-23-6-7-25(20)18(17(24-19)14-9-15(10-26)27-11-14)13-3-4-16-12(8-13)2-1-5-22-16/h1-9,11,26H,10H2,(H2,21,24).
What are the key properties of [4-(8-amino-5-quinolin-6-ylimidazo[1,2-a]pyrazin-6-yl)thiophen-2-yl]methanol?
[4-(8-amino-5-quinolin-6-ylimidazo[1,2-a]pyrazin-6-yl)thiophen-2-yl]methanol has a molecular weight of 373.44 g/mol, XLogP of 3.75, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(8-amino-5-quinolin-6-ylimidazo[1,2-a]pyrazin-6-yl)thiophen-2-yl]methanol is sourced from PubChem (CID 137372652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).