2-(4-amino-1,2,5-oxadiazol-3-yl)-N-[3-(diethylamino)propyl]-1-ethyl-4-phenylimidazo[4,5-c]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid

C26H31F3N8O4 — CID 69298077

IUPAC2-(4-amino-1,2,5-oxadiazol-3-yl)-N-[3-(diethylamino)propyl]-1-ethyl-4-phenylimidazo[4,5-c]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid
SMILESCCN(CC)CCCNC(=O)c1cnc(-c2ccccc2)c2nc(-c3nonc3N)n(CC)c12.O=C(O)C(F)(F)F
InChIInChI=1S/C24H30N8O2.C2HF3O2/c1-4-31(5-2)14-10-13-26-24(33)17-15-27-18(16-11-8-7-9-12-16)19-21(17)32(6-3)23(28-19)20-22(25)30-34-29-20;3-2(4,5)1(6)7/h7-9,11-12,15H,4-6,10,13-14H2,1-3H3,(H2,25,30)(H,26,33);(H,6,7)
InChIKeyJNKOTHICTSMZME-UHFFFAOYSA-N
MW576.58 g/mol
LogP3.85
Rot. Bonds10

About 2-(4-amino-1,2,5-oxadiazol-3-yl)-N-[3-(diethylamino)propyl]-1-ethyl-4-phenylimidazo[4,5-c]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid

2-(4-amino-1,2,5-oxadiazol-3-yl)-N-[3-(diethylamino)propyl]-1-ethyl-4-phenylimidazo[4,5-c]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 69298077) has the molecular formula C26H31F3N8O4 and a molecular weight of 576.58 g/mol. Its IUPAC name is 2-(4-amino-1,2,5-oxadiazol-3-yl)-N-[3-(diethylamino)propyl]-1-ethyl-4-phenylimidazo[4,5-c]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-(4-amino-1,2,5-oxadiazol-3-yl)-N-[3-(diethylamino)propyl]-1-ethyl-4-phenylimidazo[4,5-c]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID69298077
Molecular FormulaC26H31F3N8O4
Molecular Weight576.58 g/mol
Exact Mass576.24
IUPAC Name2-(4-amino-1,2,5-oxadiazol-3-yl)-N-[3-(diethylamino)propyl]-1-ethyl-4-phenylimidazo[4,5-c]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid
SMILESCCN(CC)CCCNC(=O)c1cnc(-c2ccccc2)c2nc(-c3nonc3N)n(CC)c12.O=C(O)C(F)(F)F
InChIInChI=1S/C24H30N8O2.C2HF3O2/c1-4-31(5-2)14-10-13-26-24(33)17-15-27-18(16-11-8-7-9-12-16)19-21(17)32(6-3)23(28-19)20-22(25)30-34-29-20;3-2(4,5)1(6)7/h7-9,11-12,15H,4-6,10,13-14H2,1-3H3,(H2,25,30)(H,26,33);(H,6,7)
InChIKeyJNKOTHICTSMZME-UHFFFAOYSA-N
XLogP3.85
TPSA165.29 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500576.58
LogP ≤ 53.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-1,2,5-oxadiazol-3-yl)-N-[3-(diethylamino)propyl]-1-ethyl-4-phenylimidazo[4,5-c]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-(4-amino-1,2,5-oxadiazol-3-yl)-N-[3-(diethylamino)propyl]-1-ethyl-4-phenylimidazo[4,5-c]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid (CID 69298077) is 2-(4-amino-1,2,5-oxadiazol-3-yl)-N-[3-(diethylamino)propyl]-1-ethyl-4-phenylimidazo[4,5-c]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-(4-amino-1,2,5-oxadiazol-3-yl)-N-[3-(diethylamino)propyl]-1-ethyl-4-phenylimidazo[4,5-c]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-(4-amino-1,2,5-oxadiazol-3-yl)-N-[3-(diethylamino)propyl]-1-ethyl-4-phenylimidazo[4,5-c]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid is CCN(CC)CCCNC(=O)c1cnc(-c2ccccc2)c2nc(-c3nonc3N)n(CC)c12.O=C(O)C(F)(F)F.
What is the InChIKey of 2-(4-amino-1,2,5-oxadiazol-3-yl)-N-[3-(diethylamino)propyl]-1-ethyl-4-phenylimidazo[4,5-c]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is JNKOTHICTSMZME-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N8O2.C2HF3O2/c1-4-31(5-2)14-10-13-26-24(33)17-15-27-18(16-11-8-7-9-12-16)19-21(17)32(6-3)23(28-19)20-22(25)30-34-29-20;3-2(4,5)1(6)7/h7-9,11-12,15H,4-6,10,13-14H2,1-3H3,(H2,25,30)(H,26,33);(H,6,7).
What are the key properties of 2-(4-amino-1,2,5-oxadiazol-3-yl)-N-[3-(diethylamino)propyl]-1-ethyl-4-phenylimidazo[4,5-c]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid?
2-(4-amino-1,2,5-oxadiazol-3-yl)-N-[3-(diethylamino)propyl]-1-ethyl-4-phenylimidazo[4,5-c]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 576.58 g/mol, XLogP of 3.85, 10 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-1,2,5-oxadiazol-3-yl)-N-[3-(diethylamino)propyl]-1-ethyl-4-phenylimidazo[4,5-c]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 69298077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).