4-[1-[4-[2-(dimethylamino)ethoxy]phenyl]-7-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine

C24H22FN7O2 — CID 44526847

IUPAC4-[1-[4-[2-(dimethylamino)ethoxy]phenyl]-7-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine
SMILESCN(C)CCOc1ccc(-n2c(-c3nonc3N)nc3cncc(-c4ccc(F)cc4)c32)cc1
InChIInChI=1S/C24H22FN7O2/c1-31(2)11-12-33-18-9-7-17(8-10-18)32-22-19(15-3-5-16(25)6-4-15)13-27-14-20(22)28-24(32)21-23(26)30-34-29-21/h3-10,13-14H,11-12H2,1-2H3,(H2,26,30)
InChIKeyYHDDTUXCOMKCSU-UHFFFAOYSA-N
MW459.49 g/mol
LogP3.80
Rot. Bonds7

About 4-[1-[4-[2-(dimethylamino)ethoxy]phenyl]-7-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine

4-[1-[4-[2-(dimethylamino)ethoxy]phenyl]-7-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine (PubChem CID 44526847) has the molecular formula C24H22FN7O2 and a molecular weight of 459.49 g/mol. Its IUPAC name is 4-[1-[4-[2-(dimethylamino)ethoxy]phenyl]-7-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine.

Molecular Properties

Compound Name4-[1-[4-[2-(dimethylamino)ethoxy]phenyl]-7-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine
PubChem CID44526847
Molecular FormulaC24H22FN7O2
Molecular Weight459.49 g/mol
Exact Mass459.18
IUPAC Name4-[1-[4-[2-(dimethylamino)ethoxy]phenyl]-7-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine
SMILESCN(C)CCOc1ccc(-n2c(-c3nonc3N)nc3cncc(-c4ccc(F)cc4)c32)cc1
InChIInChI=1S/C24H22FN7O2/c1-31(2)11-12-33-18-9-7-17(8-10-18)32-22-19(15-3-5-16(25)6-4-15)13-27-14-20(22)28-24(32)21-23(26)30-34-29-21/h3-10,13-14H,11-12H2,1-2H3,(H2,26,30)
InChIKeyYHDDTUXCOMKCSU-UHFFFAOYSA-N
XLogP3.80
TPSA108.12 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.49
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

4-[1-Ethyl-7-(piperidin-4-ylmethoxy)-1H-imidazo[4,5-c]pyridin-2-yl]-furazan-3-ylamine
CID 11256399
4-[2-(4-Amino-1,2,5-Oxadiazol-3-Yl)-6-{[(2r)-2-Amino-3-Phenylpropyl]oxy}-1-Ethyl-1h-Imidazo[4,5-C]pyridin-4-Yl]-2-Methylbut-3-Yn-2-Ol
CID 11857236
4-(2-(4-amino-1,2,5-oxadiazol-3-yl)-6-((R)-2-amino-1-phenylethoxy)-1-ethyl-1H-imidazo[4,5-c]pyridin-4-yl)-2-methylbut-3-yn-2-ol
CID 11959314
4-(2-(4-amino-1,2,5-oxadiazol-3-yl)-6-((S)-3-amino-1-phenylpropoxy)-1-ethyl-1H-imidazo[4,5-c]pyridin-4-yl)-2-methylbut-3-yn-2-ol
CID 24963049
4-[2-Methyl-3-(2-phenoxyethyl)imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine
CID 135335939
1-[2-(4-{3-phenyl-3H-imidazo[4,5-b]pyridin-6-yl}phenoxy)ethyl]piperidine
CID 5329413
4-[7-(3-aminopropoxy)-1-ethyl-4-phenyl-1H-imidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine
CID 11245934
4-{6-[(3-Aminophenyl)oxy]-1-ethyl-1H-imidazo[4,5-c]pyridin-2-yl}-furazan-3-amine
CID 11404963
4-{1-ethyl-6-phenoxy-1H-imidazo[4,5-c]pyridin-2-yl}-1,2,5-oxadiazol-3-amine
CID 16099843
N-(4-{[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-1H-imidazo[4,5-c]pyridin-6-yl]oxy}phenyl)acetamide
CID 16099858
1-Methyl-2-[4-(1-methyl-4-pyridin-4-yl-1H-pyrazol-3-yl)phenoxymethyl]-1H-benzoimidazole
CID 23648644
4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-7-(3-{[2-(4-methoxyphenyl)ethyl]amino}propoxy)-1H-imidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol
CID 25023736

Frequently Asked Questions

What is the IUPAC name of 4-[1-[4-[2-(dimethylamino)ethoxy]phenyl]-7-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine?
The IUPAC name of 4-[1-[4-[2-(dimethylamino)ethoxy]phenyl]-7-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine (CID 44526847) is 4-[1-[4-[2-(dimethylamino)ethoxy]phenyl]-7-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine.
What is the SMILES notation for 4-[1-[4-[2-(dimethylamino)ethoxy]phenyl]-7-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine?
The canonical SMILES for 4-[1-[4-[2-(dimethylamino)ethoxy]phenyl]-7-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine is CN(C)CCOc1ccc(-n2c(-c3nonc3N)nc3cncc(-c4ccc(F)cc4)c32)cc1.
What is the InChIKey of 4-[1-[4-[2-(dimethylamino)ethoxy]phenyl]-7-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine?
The InChIKey is YHDDTUXCOMKCSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN7O2/c1-31(2)11-12-33-18-9-7-17(8-10-18)32-22-19(15-3-5-16(25)6-4-15)13-27-14-20(22)28-24(32)21-23(26)30-34-29-21/h3-10,13-14H,11-12H2,1-2H3,(H2,26,30).
What are the key properties of 4-[1-[4-[2-(dimethylamino)ethoxy]phenyl]-7-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine?
4-[1-[4-[2-(dimethylamino)ethoxy]phenyl]-7-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine has a molecular weight of 459.49 g/mol, XLogP of 3.80, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[4-[2-(dimethylamino)ethoxy]phenyl]-7-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine is sourced from PubChem (CID 44526847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).