4-[1-(5-aminopentyl)-4-phenylimidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine;2,2,2-trifluoroacetic acid

C21H22F3N7O3 — CID 69299663

IUPAC4-[1-(5-aminopentyl)-4-phenylimidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine;2,2,2-trifluoroacetic acid
SMILESNCCCCCn1c(-c2nonc2N)nc2c(-c3ccccc3)nccc21.O=C(O)C(F)(F)F
InChIInChI=1S/C19H21N7O.C2HF3O2/c20-10-5-2-6-12-26-14-9-11-22-15(13-7-3-1-4-8-13)16(14)23-19(26)17-18(21)25-27-24-17;3-2(4,5)1(6)7/h1,3-4,7-9,11H,2,5-6,10,12,20H2,(H2,21,25);(H,6,7)
InChIKeyOYHBTENGOWXPIF-UHFFFAOYSA-N
MW477.45 g/mol
LogP3.49
Rot. Bonds7

About 4-[1-(5-aminopentyl)-4-phenylimidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine;2,2,2-trifluoroacetic acid

4-[1-(5-aminopentyl)-4-phenylimidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine;2,2,2-trifluoroacetic acid (PubChem CID 69299663) has the molecular formula C21H22F3N7O3 and a molecular weight of 477.45 g/mol. Its IUPAC name is 4-[1-(5-aminopentyl)-4-phenylimidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name4-[1-(5-aminopentyl)-4-phenylimidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine;2,2,2-trifluoroacetic acid
PubChem CID69299663
Molecular FormulaC21H22F3N7O3
Molecular Weight477.45 g/mol
Exact Mass477.17
IUPAC Name4-[1-(5-aminopentyl)-4-phenylimidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine;2,2,2-trifluoroacetic acid
SMILESNCCCCCn1c(-c2nonc2N)nc2c(-c3ccccc3)nccc21.O=C(O)C(F)(F)F
InChIInChI=1S/C19H21N7O.C2HF3O2/c20-10-5-2-6-12-26-14-9-11-22-15(13-7-3-1-4-8-13)16(14)23-19(26)17-18(21)25-27-24-17;3-2(4,5)1(6)7/h1,3-4,7-9,11H,2,5-6,10,12,20H2,(H2,21,25);(H,6,7)
InChIKeyOYHBTENGOWXPIF-UHFFFAOYSA-N
XLogP3.49
TPSA158.97 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.45
LogP ≤ 53.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-4-phenylimidazo[4,5-c]pyridin-7-yl]oxypropylamino]ethanol;2,2,2-trifluoroacetic acid
CID 69298101
4-[7-(4-aminobutoxy)-2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol;bis(2,2,2-trifluoroacetic acid)
CID 25108028
1-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-7-(3-aminopropoxy)-1-ethylimidazo[4,5-c]pyridin-4-yl]phenyl]-3-(3-chlorophenyl)urea;2,2,2-trifluoroacetic acid
CID 44529712
1-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-7-(3-aminopropoxy)-1-ethylimidazo[4,5-c]pyridin-4-yl]phenyl]-3-(3-methoxyphenyl)urea;2,2,2-trifluoroacetic acid
CID 44529694
4-[4-(2-chlorophenyl)-1-(cyclopropylmethyl)imidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine
CID 68974018
N-(2-aminoethyl)-2-(4-amino-1,2,5-oxadiazol-3-yl)-1-(4-fluorophenyl)-4-phenylimidazo[4,5-c]pyridine-7-carboxamide
CID 11271088
4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-7-(3-aminopropoxy)-1-ethylimidazo[4,5-c]pyridin-4-yl]but-3-yn-2-ol;2,2,2-trifluoroacetic acid
CID 69299686
4-[4-(2,3-dichlorophenyl)-1-ethylimidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine
CID 141110984
4-[1-ethyl-7-[3-[2-(5-methoxy-1H-indol-3-yl)ethylamino]propoxy]-4-phenylimidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine;2,2,2-trifluoroacetic acid
CID 69298356
[4-[[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-4-phenylimidazo[4,5-c]pyridin-7-yl]carbamoyl]piperidin-1-yl] 2,2,2-trifluoroacetate
CID 69298095
[4-[2-[4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-4-phenylimidazo[4,5-c]pyridin-7-yl]oxybutylamino]ethyl]-2-hydroxyphenyl] 2,2,2-trifluoroacetate
CID 69298343
2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-4-phenyl-N-pyrrolidin-1-ylimidazo[4,5-c]pyridine-7-carboxamide
CID 68897287

Frequently Asked Questions

What is the IUPAC name of 4-[1-(5-aminopentyl)-4-phenylimidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine;2,2,2-trifluoroacetic acid?
The IUPAC name of 4-[1-(5-aminopentyl)-4-phenylimidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine;2,2,2-trifluoroacetic acid (CID 69299663) is 4-[1-(5-aminopentyl)-4-phenylimidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 4-[1-(5-aminopentyl)-4-phenylimidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 4-[1-(5-aminopentyl)-4-phenylimidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine;2,2,2-trifluoroacetic acid is NCCCCCn1c(-c2nonc2N)nc2c(-c3ccccc3)nccc21.O=C(O)C(F)(F)F.
What is the InChIKey of 4-[1-(5-aminopentyl)-4-phenylimidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine;2,2,2-trifluoroacetic acid?
The InChIKey is OYHBTENGOWXPIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N7O.C2HF3O2/c20-10-5-2-6-12-26-14-9-11-22-15(13-7-3-1-4-8-13)16(14)23-19(26)17-18(21)25-27-24-17;3-2(4,5)1(6)7/h1,3-4,7-9,11H,2,5-6,10,12,20H2,(H2,21,25);(H,6,7).
What are the key properties of 4-[1-(5-aminopentyl)-4-phenylimidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine;2,2,2-trifluoroacetic acid?
4-[1-(5-aminopentyl)-4-phenylimidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine;2,2,2-trifluoroacetic acid has a molecular weight of 477.45 g/mol, XLogP of 3.49, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(5-aminopentyl)-4-phenylimidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 69299663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).