N-benzyl-6-(2,5-difluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide

C21H19F2N3O — CID 46081028

IUPACN-benzyl-6-(2,5-difluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
SMILESO=C(NCc1ccccc1)c1cn2c(n1)CCC(c1cc(F)ccc1F)C2
InChIInChI=1S/C21H19F2N3O/c22-16-7-8-18(23)17(10-16)15-6-9-20-25-19(13-26(20)12-15)21(27)24-11-14-4-2-1-3-5-14/h1-5,7-8,10,13,15H,6,9,11-12H2,(H,24,27)
InChIKeyOGJHDDJOMVVVLF-UHFFFAOYSA-N
MW367.40 g/mol
LogP3.82
Rot. Bonds4

About N-benzyl-6-(2,5-difluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide

N-benzyl-6-(2,5-difluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 46081028) has the molecular formula C21H19F2N3O and a molecular weight of 367.40 g/mol. Its IUPAC name is N-benzyl-6-(2,5-difluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-6-(2,5-difluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
PubChem CID46081028
Molecular FormulaC21H19F2N3O
Molecular Weight367.40 g/mol
Exact Mass367.15
IUPAC NameN-benzyl-6-(2,5-difluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
SMILESO=C(NCc1ccccc1)c1cn2c(n1)CCC(c1cc(F)ccc1F)C2
InChIInChI=1S/C21H19F2N3O/c22-16-7-8-18(23)17(10-16)15-6-9-20-25-19(13-26(20)12-15)21(27)24-11-14-4-2-1-3-5-14/h1-5,7-8,10,13,15H,6,9,11-12H2,(H,24,27)
InChIKeyOGJHDDJOMVVVLF-UHFFFAOYSA-N
XLogP3.82
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.40
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(6R)-N-benzyl-6-(2,5-difluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
CID 93013212
(6R)-N-[(4-fluorophenyl)methyl]-6-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
CID 93009766
N-[(4-fluorophenyl)methyl]-6-(4-phenoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
CID 46081047
(6S)-N-[(1R)-1,2-diphenylethyl]-6-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
CID 93012968
(6R)-N-[(1S)-1,2-diphenylethyl]-6-(3-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
CID 93012989
(6S)-6-(3-methylphenyl)-N-(pyridin-4-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
CID 93013080
(6R)-N-(furan-2-ylmethyl)-6-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
CID 93009686
6-(4-fluoro-3-methylphenyl)-N-(furan-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
CID 42878624
(6R)-6-(4-phenoxyphenyl)-N-(2-phenylethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
CID 93013243
N-benzyl-6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepine-2-carboxamide;dihydrochloride
CID 155971749
6-(3-methylphenyl)-N-propyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
CID 46080946
(6S)-N-pentyl-6-(4-phenoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
CID 93013264

Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-(2,5-difluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of N-benzyl-6-(2,5-difluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide (CID 46081028) is N-benzyl-6-(2,5-difluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for N-benzyl-6-(2,5-difluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for N-benzyl-6-(2,5-difluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide is O=C(NCc1ccccc1)c1cn2c(n1)CCC(c1cc(F)ccc1F)C2.
What is the InChIKey of N-benzyl-6-(2,5-difluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is OGJHDDJOMVVVLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F2N3O/c22-16-7-8-18(23)17(10-16)15-6-9-20-25-19(13-26(20)12-15)21(27)24-11-14-4-2-1-3-5-14/h1-5,7-8,10,13,15H,6,9,11-12H2,(H,24,27).
What are the key properties of N-benzyl-6-(2,5-difluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide?
N-benzyl-6-(2,5-difluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 367.40 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-(2,5-difluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 46081028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).