N-(2-ethyl-3-methyl-1,8a-dihydroimidazo[1,2-a]pyridin-6-yl)-4-[(3-fluoro-2-pyridinyl)oxy]benzamide

C22H21FN4O2 — CID 143133410

IUPACN-(2-ethyl-3-methyl-1,8a-dihydroimidazo[1,2-a]pyridin-6-yl)-4-[(3-fluoro-2-pyridinyl)oxy]benzamide
SMILESCCC1=C(C)N2C=C(NC(=O)c3ccc(Oc4ncccc4F)cc3)C=CC2N1
InChIInChI=1S/C22H21FN4O2/c1-3-19-14(2)27-13-16(8-11-20(27)26-19)25-21(28)15-6-9-17(10-7-15)29-22-18(23)5-4-12-24-22/h4-13,20,26H,3H2,1-2H3,(H,25,28)
InChIKeyZVPDJIKOQPAEFY-UHFFFAOYSA-N
MW392.43 g/mol
LogP4.03
Rot. Bonds5

About N-(2-ethyl-3-methyl-1,8a-dihydroimidazo[1,2-a]pyridin-6-yl)-4-[(3-fluoro-2-pyridinyl)oxy]benzamide

N-(2-ethyl-3-methyl-1,8a-dihydroimidazo[1,2-a]pyridin-6-yl)-4-[(3-fluoro-2-pyridinyl)oxy]benzamide (PubChem CID 143133410) has the molecular formula C22H21FN4O2 and a molecular weight of 392.43 g/mol. Its IUPAC name is N-(2-ethyl-3-methyl-1,8a-dihydroimidazo[1,2-a]pyridin-6-yl)-4-[(3-fluoro-2-pyridinyl)oxy]benzamide.

Molecular Properties

Compound NameN-(2-ethyl-3-methyl-1,8a-dihydroimidazo[1,2-a]pyridin-6-yl)-4-[(3-fluoro-2-pyridinyl)oxy]benzamide
PubChem CID143133410
Molecular FormulaC22H21FN4O2
Molecular Weight392.43 g/mol
Exact Mass392.16
IUPAC NameN-(2-ethyl-3-methyl-1,8a-dihydroimidazo[1,2-a]pyridin-6-yl)-4-[(3-fluoro-2-pyridinyl)oxy]benzamide
SMILESCCC1=C(C)N2C=C(NC(=O)c3ccc(Oc4ncccc4F)cc3)C=CC2N1
InChIInChI=1S/C22H21FN4O2/c1-3-19-14(2)27-13-16(8-11-20(27)26-19)25-21(28)15-6-9-17(10-7-15)29-22-18(23)5-4-12-24-22/h4-13,20,26H,3H2,1-2H3,(H,25,28)
InChIKeyZVPDJIKOQPAEFY-UHFFFAOYSA-N
XLogP4.03
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.43
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethoxy-N-(2-fluorophenyl)pyridine-3-carboxamide
CID 2096181
ethyl 2-[3-[(4-propoxybenzoyl)amino]phenoxy]pyridine-3-carboxylate
CID 44764821
N-[2-(4-methoxyphenoxy)-3-pyridinyl]-4-(trifluoromethoxy)benzamide
CID 2728304
ethyl 2-[3-fluoro-4-[[[2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]methyl]phenyl]acetate
CID 69414854
N-(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)-4-[(3-methyl-2-pyridinyl)oxy]benzamide
CID 167887464
N-(2,4-dichlorophenyl)-2-(4-fluorophenoxy)pyridine-3-carboxamide
CID 612195
4-[[2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 22058409
2-(4-propanoylphenoxy)pyridine-3-carboxylic acid
CID 45422631
N-(2-fluorophenyl)-4-phenoxybenzamide
CID 7915018
2-(4-fluorophenoxy)pyridine-3-carboxylic acid
CID 605123
2-(3-chloro-4-methylphenoxy)-N-(2,4-difluorophenyl)pyridine-3-carboxamide
CID 134116749
N-[[4-(dimethylamino)phenyl]methyl]-2-(4-fluorophenoxy)pyridine-3-carboxamide
CID 22612296

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-3-methyl-1,8a-dihydroimidazo[1,2-a]pyridin-6-yl)-4-[(3-fluoro-2-pyridinyl)oxy]benzamide?
The IUPAC name of N-(2-ethyl-3-methyl-1,8a-dihydroimidazo[1,2-a]pyridin-6-yl)-4-[(3-fluoro-2-pyridinyl)oxy]benzamide (CID 143133410) is N-(2-ethyl-3-methyl-1,8a-dihydroimidazo[1,2-a]pyridin-6-yl)-4-[(3-fluoro-2-pyridinyl)oxy]benzamide.
What is the SMILES notation for N-(2-ethyl-3-methyl-1,8a-dihydroimidazo[1,2-a]pyridin-6-yl)-4-[(3-fluoro-2-pyridinyl)oxy]benzamide?
The canonical SMILES for N-(2-ethyl-3-methyl-1,8a-dihydroimidazo[1,2-a]pyridin-6-yl)-4-[(3-fluoro-2-pyridinyl)oxy]benzamide is CCC1=C(C)N2C=C(NC(=O)c3ccc(Oc4ncccc4F)cc3)C=CC2N1.
What is the InChIKey of N-(2-ethyl-3-methyl-1,8a-dihydroimidazo[1,2-a]pyridin-6-yl)-4-[(3-fluoro-2-pyridinyl)oxy]benzamide?
The InChIKey is ZVPDJIKOQPAEFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN4O2/c1-3-19-14(2)27-13-16(8-11-20(27)26-19)25-21(28)15-6-9-17(10-7-15)29-22-18(23)5-4-12-24-22/h4-13,20,26H,3H2,1-2H3,(H,25,28).
What are the key properties of N-(2-ethyl-3-methyl-1,8a-dihydroimidazo[1,2-a]pyridin-6-yl)-4-[(3-fluoro-2-pyridinyl)oxy]benzamide?
N-(2-ethyl-3-methyl-1,8a-dihydroimidazo[1,2-a]pyridin-6-yl)-4-[(3-fluoro-2-pyridinyl)oxy]benzamide has a molecular weight of 392.43 g/mol, XLogP of 4.03, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-3-methyl-1,8a-dihydroimidazo[1,2-a]pyridin-6-yl)-4-[(3-fluoro-2-pyridinyl)oxy]benzamide is sourced from PubChem (CID 143133410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).