[4-(2-isoquinolin-5-ylimidazo[1,2-a]pyridin-6-yl)thiophen-2-yl]methanol

C21H15N3OS — CID 66623706

IUPAC[4-(2-isoquinolin-5-ylimidazo[1,2-a]pyridin-6-yl)thiophen-2-yl]methanol
SMILESOCc1cc(-c2ccc3nc(-c4cccc5cnccc45)cn3c2)cs1
InChIInChI=1S/C21H15N3OS/c25-12-17-8-16(13-26-17)15-4-5-21-23-20(11-24(21)10-15)19-3-1-2-14-9-22-7-6-18(14)19/h1-11,13,25H,12H2
InChIKeyIVNNMWXAGWEOMF-UHFFFAOYSA-N
MW357.44 g/mol
LogP4.77
Rot. Bonds3

About [4-(2-isoquinolin-5-ylimidazo[1,2-a]pyridin-6-yl)thiophen-2-yl]methanol

[4-(2-isoquinolin-5-ylimidazo[1,2-a]pyridin-6-yl)thiophen-2-yl]methanol (PubChem CID 66623706) has the molecular formula C21H15N3OS and a molecular weight of 357.44 g/mol. Its IUPAC name is [4-(2-isoquinolin-5-ylimidazo[1,2-a]pyridin-6-yl)thiophen-2-yl]methanol.

Molecular Properties

Compound Name[4-(2-isoquinolin-5-ylimidazo[1,2-a]pyridin-6-yl)thiophen-2-yl]methanol
PubChem CID66623706
Molecular FormulaC21H15N3OS
Molecular Weight357.44 g/mol
Exact Mass357.09
IUPAC Name[4-(2-isoquinolin-5-ylimidazo[1,2-a]pyridin-6-yl)thiophen-2-yl]methanol
SMILESOCc1cc(-c2ccc3nc(-c4cccc5cnccc45)cn3c2)cs1
InChIInChI=1S/C21H15N3OS/c25-12-17-8-16(13-26-17)15-4-5-21-23-20(11-24(21)10-15)19-3-1-2-14-9-22-7-6-18(14)19/h1-11,13,25H,12H2
InChIKeyIVNNMWXAGWEOMF-UHFFFAOYSA-N
XLogP4.77
TPSA50.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(2-isoquinolin-5-ylimidazo[1,2-a]pyridin-6-yl)thiophen-2-yl]methanol?
The IUPAC name of [4-(2-isoquinolin-5-ylimidazo[1,2-a]pyridin-6-yl)thiophen-2-yl]methanol (CID 66623706) is [4-(2-isoquinolin-5-ylimidazo[1,2-a]pyridin-6-yl)thiophen-2-yl]methanol.
What is the SMILES notation for [4-(2-isoquinolin-5-ylimidazo[1,2-a]pyridin-6-yl)thiophen-2-yl]methanol?
The canonical SMILES for [4-(2-isoquinolin-5-ylimidazo[1,2-a]pyridin-6-yl)thiophen-2-yl]methanol is OCc1cc(-c2ccc3nc(-c4cccc5cnccc45)cn3c2)cs1.
What is the InChIKey of [4-(2-isoquinolin-5-ylimidazo[1,2-a]pyridin-6-yl)thiophen-2-yl]methanol?
The InChIKey is IVNNMWXAGWEOMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N3OS/c25-12-17-8-16(13-26-17)15-4-5-21-23-20(11-24(21)10-15)19-3-1-2-14-9-22-7-6-18(14)19/h1-11,13,25H,12H2.
What are the key properties of [4-(2-isoquinolin-5-ylimidazo[1,2-a]pyridin-6-yl)thiophen-2-yl]methanol?
[4-(2-isoquinolin-5-ylimidazo[1,2-a]pyridin-6-yl)thiophen-2-yl]methanol has a molecular weight of 357.44 g/mol, XLogP of 4.77, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-isoquinolin-5-ylimidazo[1,2-a]pyridin-6-yl)thiophen-2-yl]methanol is sourced from PubChem (CID 66623706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).