N-(2-aminoethyl)-2-(4-amino-1,2,5-oxadiazol-3-yl)-1-(4-fluorophenyl)-4-phenylimidazo[4,5-c]pyridine-7-carboxamide

C23H19FN8O2 — CID 11271088

IUPACN-(2-aminoethyl)-2-(4-amino-1,2,5-oxadiazol-3-yl)-1-(4-fluorophenyl)-4-phenylimidazo[4,5-c]pyridine-7-carboxamide
SMILESNCCNC(=O)c1cnc(-c2ccccc2)c2nc(-c3nonc3N)n(-c3ccc(F)cc3)c12
InChIInChI=1S/C23H19FN8O2/c24-14-6-8-15(9-7-14)32-20-16(23(33)27-11-10-25)12-28-17(13-4-2-1-3-5-13)18(20)29-22(32)19-21(26)31-34-30-19/h1-9,12H,10-11,25H2,(H2,26,31)(H,27,33)
InChIKeyACCXQKGNOFBWGE-UHFFFAOYSA-N
MW458.46 g/mol
LogP2.55
Rot. Bonds6

About N-(2-aminoethyl)-2-(4-amino-1,2,5-oxadiazol-3-yl)-1-(4-fluorophenyl)-4-phenylimidazo[4,5-c]pyridine-7-carboxamide

N-(2-aminoethyl)-2-(4-amino-1,2,5-oxadiazol-3-yl)-1-(4-fluorophenyl)-4-phenylimidazo[4,5-c]pyridine-7-carboxamide (PubChem CID 11271088) has the molecular formula C23H19FN8O2 and a molecular weight of 458.46 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-(4-amino-1,2,5-oxadiazol-3-yl)-1-(4-fluorophenyl)-4-phenylimidazo[4,5-c]pyridine-7-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-(4-amino-1,2,5-oxadiazol-3-yl)-1-(4-fluorophenyl)-4-phenylimidazo[4,5-c]pyridine-7-carboxamide
PubChem CID11271088
Molecular FormulaC23H19FN8O2
Molecular Weight458.46 g/mol
Exact Mass458.16
IUPAC NameN-(2-aminoethyl)-2-(4-amino-1,2,5-oxadiazol-3-yl)-1-(4-fluorophenyl)-4-phenylimidazo[4,5-c]pyridine-7-carboxamide
SMILESNCCNC(=O)c1cnc(-c2ccccc2)c2nc(-c3nonc3N)n(-c3ccc(F)cc3)c12
InChIInChI=1S/C23H19FN8O2/c24-14-6-8-15(9-7-14)32-20-16(23(33)27-11-10-25)12-28-17(13-4-2-1-3-5-13)18(20)29-22(32)19-21(26)31-34-30-19/h1-9,12H,10-11,25H2,(H2,26,31)(H,27,33)
InChIKeyACCXQKGNOFBWGE-UHFFFAOYSA-N
XLogP2.55
TPSA150.77 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.46
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-(4-amino-1,2,5-oxadiazol-3-yl)-1-(4-fluorophenyl)-4-phenylimidazo[4,5-c]pyridine-7-carboxamide?
The IUPAC name of 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) is N-(2-aminoethyl)-2-(4-amino-1,2,5-oxadiazol-3-yl)-1-(4-fluorophenyl)-4-phenylimidazo[4,5-c]pyridine-7-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-2-(4-amino-1,2,5-oxadiazol-3-yl)-1-(4-fluorophenyl)-4-phenylimidazo[4,5-c]pyridine-7-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-2-(4-amino-1,2,5-oxadiazol-3-yl)-1-(4-fluorophenyl)-4-phenylimidazo[4,5-c]pyridine-7-carboxamide is NCCNC(=O)c1cnc(-c2ccccc2)c2nc(-c3nonc3N)n(-c3ccc(F)cc3)c12.
What is the InChIKey of N-(2-aminoethyl)-2-(4-amino-1,2,5-oxadiazol-3-yl)-1-(4-fluorophenyl)-4-phenylimidazo[4,5-c]pyridine-7-carboxamide?
The InChIKey is ACCXQKGNOFBWGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN8O2/c24-14-6-8-15(9-7-14)32-20-16(23(33)27-11-10-25)12-28-17(13-4-2-1-3-5-13)18(20)29-22(32)19-21(26)31-34-30-19/h1-9,12H,10-11,25H2,(H2,26,31)(H,27,33).
What are the key properties of N-(2-aminoethyl)-2-(4-amino-1,2,5-oxadiazol-3-yl)-1-(4-fluorophenyl)-4-phenylimidazo[4,5-c]pyridine-7-carboxamide?
N-(2-aminoethyl)-2-(4-amino-1,2,5-oxadiazol-3-yl)-1-(4-fluorophenyl)-4-phenylimidazo[4,5-c]pyridine-7-carboxamide has a molecular weight of 458.46 g/mol, XLogP of 2.55, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-(4-amino-1,2,5-oxadiazol-3-yl)-1-(4-fluorophenyl)-4-phenylimidazo[4,5-c]pyridine-7-carboxamide is sourced from PubChem (CID 11271088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).