[4-[2-[4-[(dimethylamino)methyl]phenyl]imidazo[1,2-a]pyridin-6-yl]thiophen-2-yl]methanol

C21H21N3OS — CID 66624366

IUPAC[4-[2-[4-[(dimethylamino)methyl]phenyl]imidazo[1,2-a]pyridin-6-yl]thiophen-2-yl]methanol
SMILESCN(C)Cc1ccc(-c2cn3cc(-c4csc(CO)c4)ccc3n2)cc1
InChIInChI=1S/C21H21N3OS/c1-23(2)10-15-3-5-16(6-4-15)20-12-24-11-17(7-8-21(24)22-20)18-9-19(13-25)26-14-18/h3-9,11-12,14,25H,10,13H2,1-2H3
InChIKeyVSRXVESFYANBNE-UHFFFAOYSA-N
MW363.49 g/mol
LogP4.28
Rot. Bonds5

About [4-[2-[4-[(dimethylamino)methyl]phenyl]imidazo[1,2-a]pyridin-6-yl]thiophen-2-yl]methanol

[4-[2-[4-[(dimethylamino)methyl]phenyl]imidazo[1,2-a]pyridin-6-yl]thiophen-2-yl]methanol (PubChem CID 66624366) has the molecular formula C21H21N3OS and a molecular weight of 363.49 g/mol. Its IUPAC name is [4-[2-[4-[(dimethylamino)methyl]phenyl]imidazo[1,2-a]pyridin-6-yl]thiophen-2-yl]methanol.

Molecular Properties

Compound Name[4-[2-[4-[(dimethylamino)methyl]phenyl]imidazo[1,2-a]pyridin-6-yl]thiophen-2-yl]methanol
PubChem CID66624366
Molecular FormulaC21H21N3OS
Molecular Weight363.49 g/mol
Exact Mass363.14
IUPAC Name[4-[2-[4-[(dimethylamino)methyl]phenyl]imidazo[1,2-a]pyridin-6-yl]thiophen-2-yl]methanol
SMILESCN(C)Cc1ccc(-c2cn3cc(-c4csc(CO)c4)ccc3n2)cc1
InChIInChI=1S/C21H21N3OS/c1-23(2)10-15-3-5-16(6-4-15)20-12-24-11-17(7-8-21(24)22-20)18-9-19(13-25)26-14-18/h3-9,11-12,14,25H,10,13H2,1-2H3
InChIKeyVSRXVESFYANBNE-UHFFFAOYSA-N
XLogP4.28
TPSA40.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.49
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[2-[4-[(dimethylamino)methyl]phenyl]imidazo[1,2-a]pyridin-6-yl]thiophen-2-yl]methanol?
The IUPAC name of [4-[2-[4-[(dimethylamino)methyl]phenyl]imidazo[1,2-a]pyridin-6-yl]thiophen-2-yl]methanol (CID 66624366) is [4-[2-[4-[(dimethylamino)methyl]phenyl]imidazo[1,2-a]pyridin-6-yl]thiophen-2-yl]methanol.
What is the SMILES notation for [4-[2-[4-[(dimethylamino)methyl]phenyl]imidazo[1,2-a]pyridin-6-yl]thiophen-2-yl]methanol?
The canonical SMILES for [4-[2-[4-[(dimethylamino)methyl]phenyl]imidazo[1,2-a]pyridin-6-yl]thiophen-2-yl]methanol is CN(C)Cc1ccc(-c2cn3cc(-c4csc(CO)c4)ccc3n2)cc1.
What is the InChIKey of [4-[2-[4-[(dimethylamino)methyl]phenyl]imidazo[1,2-a]pyridin-6-yl]thiophen-2-yl]methanol?
The InChIKey is VSRXVESFYANBNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3OS/c1-23(2)10-15-3-5-16(6-4-15)20-12-24-11-17(7-8-21(24)22-20)18-9-19(13-25)26-14-18/h3-9,11-12,14,25H,10,13H2,1-2H3.
What are the key properties of [4-[2-[4-[(dimethylamino)methyl]phenyl]imidazo[1,2-a]pyridin-6-yl]thiophen-2-yl]methanol?
[4-[2-[4-[(dimethylamino)methyl]phenyl]imidazo[1,2-a]pyridin-6-yl]thiophen-2-yl]methanol has a molecular weight of 363.49 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-[4-[(dimethylamino)methyl]phenyl]imidazo[1,2-a]pyridin-6-yl]thiophen-2-yl]methanol is sourced from PubChem (CID 66624366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).