2-fluoro-4-[6-[5-(hydroxymethyl)thiophen-3-yl]imidazo[1,2-a]pyridin-2-yl]-N,N-dimethylbenzamide

C21H18FN3O2S — CID 66623867

IUPAC2-fluoro-4-[6-[5-(hydroxymethyl)thiophen-3-yl]imidazo[1,2-a]pyridin-2-yl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(-c2cn3cc(-c4csc(CO)c4)ccc3n2)cc1F
InChIInChI=1S/C21H18FN3O2S/c1-24(2)21(27)17-5-3-13(8-18(17)22)19-10-25-9-14(4-6-20(25)23-19)15-7-16(11-26)28-12-15/h3-10,12,26H,11H2,1-2H3
InChIKeyMFHSGEYIGHVTAV-UHFFFAOYSA-N
MW395.46 g/mol
LogP4.06
Rot. Bonds4

About 2-fluoro-4-[6-[5-(hydroxymethyl)thiophen-3-yl]imidazo[1,2-a]pyridin-2-yl]-N,N-dimethylbenzamide

2-fluoro-4-[6-[5-(hydroxymethyl)thiophen-3-yl]imidazo[1,2-a]pyridin-2-yl]-N,N-dimethylbenzamide (PubChem CID 66623867) has the molecular formula C21H18FN3O2S and a molecular weight of 395.46 g/mol. Its IUPAC name is 2-fluoro-4-[6-[5-(hydroxymethyl)thiophen-3-yl]imidazo[1,2-a]pyridin-2-yl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name2-fluoro-4-[6-[5-(hydroxymethyl)thiophen-3-yl]imidazo[1,2-a]pyridin-2-yl]-N,N-dimethylbenzamide
PubChem CID66623867
Molecular FormulaC21H18FN3O2S
Molecular Weight395.46 g/mol
Exact Mass395.11
IUPAC Name2-fluoro-4-[6-[5-(hydroxymethyl)thiophen-3-yl]imidazo[1,2-a]pyridin-2-yl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(-c2cn3cc(-c4csc(CO)c4)ccc3n2)cc1F
InChIInChI=1S/C21H18FN3O2S/c1-24(2)21(27)17-5-3-13(8-18(17)22)19-10-25-9-14(4-6-20(25)23-19)15-7-16(11-26)28-12-15/h3-10,12,26H,11H2,1-2H3
InChIKeyMFHSGEYIGHVTAV-UHFFFAOYSA-N
XLogP4.06
TPSA57.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-fluoro-4-[6-[5-(hydroxymethyl)thiophen-3-yl]imidazo[1,2-a]pyridin-2-yl]-N,N-dimethylbenzamide with MolForge

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Related Compounds

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CID 5281037
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CID 24836810
3-[12-Methyl-8-(methylamino)-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-4-yl]benzoic acid
CID 20823956
4-[[5-[(E)-2-carboxy-3-thiophen-2-ylprop-1-enyl]-2-hexylimidazol-1-yl]methyl]benzoic acid
CID 14952951
4-[[2-butyl-5-[(E)-2-carboxy-4-thiophen-2-ylbut-1-enyl]imidazol-1-yl]methyl]benzoic acid
CID 14952960
4-[2-[2-butyl-5-[(E)-2-carboxy-3-thiophen-2-ylprop-1-enyl]imidazol-1-yl]ethyl]benzoic acid
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CID 36688250
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CID 53321232
4-[[5-[(E)-3-amino-3-oxo-2-(thiophen-2-ylmethyl)prop-1-enyl]-2-butylimidazol-1-yl]methyl]benzoic acid
CID 9979718
2-[4-[[2-butyl-5-[(E)-2-carboxy-3-thiophen-2-ylprop-1-enyl]imidazol-1-yl]methyl]phenyl]benzoic acid
CID 14952922
4-[[2-butyl-5-[(E)-2-carboxy-3-thiophen-2-ylprop-1-enyl]imidazol-1-yl]methyl]-2-phenylbenzoic acid
CID 14952927
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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[6-[5-(hydroxymethyl)thiophen-3-yl]imidazo[1,2-a]pyridin-2-yl]-N,N-dimethylbenzamide?
The IUPAC name of 2-fluoro-4-[6-[5-(hydroxymethyl)thiophen-3-yl]imidazo[1,2-a]pyridin-2-yl]-N,N-dimethylbenzamide (CID 66623867) is 2-fluoro-4-[6-[5-(hydroxymethyl)thiophen-3-yl]imidazo[1,2-a]pyridin-2-yl]-N,N-dimethylbenzamide.
What is the SMILES notation for 2-fluoro-4-[6-[5-(hydroxymethyl)thiophen-3-yl]imidazo[1,2-a]pyridin-2-yl]-N,N-dimethylbenzamide?
The canonical SMILES for 2-fluoro-4-[6-[5-(hydroxymethyl)thiophen-3-yl]imidazo[1,2-a]pyridin-2-yl]-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(-c2cn3cc(-c4csc(CO)c4)ccc3n2)cc1F.
What is the InChIKey of 2-fluoro-4-[6-[5-(hydroxymethyl)thiophen-3-yl]imidazo[1,2-a]pyridin-2-yl]-N,N-dimethylbenzamide?
The InChIKey is MFHSGEYIGHVTAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN3O2S/c1-24(2)21(27)17-5-3-13(8-18(17)22)19-10-25-9-14(4-6-20(25)23-19)15-7-16(11-26)28-12-15/h3-10,12,26H,11H2,1-2H3.
What are the key properties of 2-fluoro-4-[6-[5-(hydroxymethyl)thiophen-3-yl]imidazo[1,2-a]pyridin-2-yl]-N,N-dimethylbenzamide?
2-fluoro-4-[6-[5-(hydroxymethyl)thiophen-3-yl]imidazo[1,2-a]pyridin-2-yl]-N,N-dimethylbenzamide has a molecular weight of 395.46 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[6-[5-(hydroxymethyl)thiophen-3-yl]imidazo[1,2-a]pyridin-2-yl]-N,N-dimethylbenzamide is sourced from PubChem (CID 66623867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).