3-fluoro-N-(1-hydroxybutan-2-yl)-8-methyl-N-(thiophen-2-ylmethyl)imidazo[1,2-a]pyridine-2-carboxamide

C18H20FN3O2S — CID 46984966

IUPAC3-fluoro-N-(1-hydroxybutan-2-yl)-8-methyl-N-(thiophen-2-ylmethyl)imidazo[1,2-a]pyridine-2-carboxamide
SMILESCCC(CO)N(Cc1cccs1)C(=O)c1nc2c(C)cccn2c1F
InChIInChI=1S/C18H20FN3O2S/c1-3-13(11-23)22(10-14-7-5-9-25-14)18(24)15-16(19)21-8-4-6-12(2)17(21)20-15/h4-9,13,23H,3,10-11H2,1-2H3
InChIKeyMWFNHJVBYYVOEI-UHFFFAOYSA-N
MW361.44 g/mol
LogP3.26
Rot. Bonds6

About 3-fluoro-N-(1-hydroxybutan-2-yl)-8-methyl-N-(thiophen-2-ylmethyl)imidazo[1,2-a]pyridine-2-carboxamide

3-fluoro-N-(1-hydroxybutan-2-yl)-8-methyl-N-(thiophen-2-ylmethyl)imidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 46984966) has the molecular formula C18H20FN3O2S and a molecular weight of 361.44 g/mol. Its IUPAC name is 3-fluoro-N-(1-hydroxybutan-2-yl)-8-methyl-N-(thiophen-2-ylmethyl)imidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-fluoro-N-(1-hydroxybutan-2-yl)-8-methyl-N-(thiophen-2-ylmethyl)imidazo[1,2-a]pyridine-2-carboxamide
PubChem CID46984966
Molecular FormulaC18H20FN3O2S
Molecular Weight361.44 g/mol
Exact Mass361.13
IUPAC Name3-fluoro-N-(1-hydroxybutan-2-yl)-8-methyl-N-(thiophen-2-ylmethyl)imidazo[1,2-a]pyridine-2-carboxamide
SMILESCCC(CO)N(Cc1cccs1)C(=O)c1nc2c(C)cccn2c1F
InChIInChI=1S/C18H20FN3O2S/c1-3-13(11-23)22(10-14-7-5-9-25-14)18(24)15-16(19)21-8-4-6-12(2)17(21)20-15/h4-9,13,23H,3,10-11H2,1-2H3
InChIKeyMWFNHJVBYYVOEI-UHFFFAOYSA-N
XLogP3.26
TPSA57.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-fluoro-N-(1-hydroxybutan-2-yl)-8-methyl-N-(thiophen-2-ylmethyl)imidazo[1,2-a]pyridine-2-carboxamide with MolForge

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Related Compounds

N-[(2S)-1-hydroxybutan-2-yl]-N-(thiophen-2-ylmethyl)furan-3-carboxamide
CID 95046623
N-(1-hydroxybutan-2-yl)-2-oxo-N-(thiophen-2-ylmethyl)chromene-3-carboxamide
CID 46994886
N-[2-[1-hydroxybutan-2-yl(thiophen-2-ylmethyl)amino]-2-oxoethyl]benzamide
CID 46992278
1-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-3-(thiophen-2-ylmethyl)urea
CID 47028535
1-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-3-(2-thiophen-2-ylethyl)urea
CID 47028534
2-[(2,5-dimethylpyrazol-3-yl)methyl-(thiophen-2-ylmethyl)amino]butan-1-ol
CID 46991200
N-(furan-2-ylmethyl)-N-(1-hydroxybutan-2-yl)-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 50962627
2-[pentan-3-yl(thiophen-2-ylmethyl)amino]ethanol
CID 62016059
2-[2-methyl-N-(thiophen-2-ylmethyl)anilino]acetic acid
CID 39361394
2-amino-2-ethyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)butanamide
CID 79814434
8-methyl-2-(thiophen-2-ylmethyl)imidazo[1,2-a]pyridine
CID 117137867
3-amino-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide
CID 104742073

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(1-hydroxybutan-2-yl)-8-methyl-N-(thiophen-2-ylmethyl)imidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of 3-fluoro-N-(1-hydroxybutan-2-yl)-8-methyl-N-(thiophen-2-ylmethyl)imidazo[1,2-a]pyridine-2-carboxamide (CID 46984966) is 3-fluoro-N-(1-hydroxybutan-2-yl)-8-methyl-N-(thiophen-2-ylmethyl)imidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for 3-fluoro-N-(1-hydroxybutan-2-yl)-8-methyl-N-(thiophen-2-ylmethyl)imidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for 3-fluoro-N-(1-hydroxybutan-2-yl)-8-methyl-N-(thiophen-2-ylmethyl)imidazo[1,2-a]pyridine-2-carboxamide is CCC(CO)N(Cc1cccs1)C(=O)c1nc2c(C)cccn2c1F.
What is the InChIKey of 3-fluoro-N-(1-hydroxybutan-2-yl)-8-methyl-N-(thiophen-2-ylmethyl)imidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is MWFNHJVBYYVOEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O2S/c1-3-13(11-23)22(10-14-7-5-9-25-14)18(24)15-16(19)21-8-4-6-12(2)17(21)20-15/h4-9,13,23H,3,10-11H2,1-2H3.
What are the key properties of 3-fluoro-N-(1-hydroxybutan-2-yl)-8-methyl-N-(thiophen-2-ylmethyl)imidazo[1,2-a]pyridine-2-carboxamide?
3-fluoro-N-(1-hydroxybutan-2-yl)-8-methyl-N-(thiophen-2-ylmethyl)imidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 361.44 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(1-hydroxybutan-2-yl)-8-methyl-N-(thiophen-2-ylmethyl)imidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 46984966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).