(6S)-N-(4-acetylphenyl)-6-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide

C23H19FN6O3 — CID 26745179

IUPAC(6S)-N-(4-acetylphenyl)-6-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide
SMILESCC(=O)c1ccc(NC(=O)N2Cc3[nH]cnc3C[C@H]2c2nc(-c3ccc(F)cc3)no2)cc1
InChIInChI=1S/C23H19FN6O3/c1-13(31)14-4-8-17(9-5-14)27-23(32)30-11-19-18(25-12-26-19)10-20(30)22-28-21(29-33-22)15-2-6-16(24)7-3-15/h2-9,12,20H,10-11H2,1H3,(H,25,26)(H,27,32)/t20-/m0/s1
InChIKeyRGEBTPUHQBJGRA-FQEVSTJZSA-N
MW446.44 g/mol
LogP4.13
Rot. Bonds4

About (6S)-N-(4-acetylphenyl)-6-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide

(6S)-N-(4-acetylphenyl)-6-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide (PubChem CID 26745179) has the molecular formula C23H19FN6O3 and a molecular weight of 446.44 g/mol. Its IUPAC name is (6S)-N-(4-acetylphenyl)-6-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide.

Molecular Properties

Compound Name(6S)-N-(4-acetylphenyl)-6-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide
PubChem CID26745179
Molecular FormulaC23H19FN6O3
Molecular Weight446.44 g/mol
Exact Mass446.15
IUPAC Name(6S)-N-(4-acetylphenyl)-6-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide
SMILESCC(=O)c1ccc(NC(=O)N2Cc3[nH]cnc3C[C@H]2c2nc(-c3ccc(F)cc3)no2)cc1
InChIInChI=1S/C23H19FN6O3/c1-13(31)14-4-8-17(9-5-14)27-23(32)30-11-19-18(25-12-26-19)10-20(30)22-28-21(29-33-22)15-2-6-16(24)7-3-15/h2-9,12,20H,10-11H2,1H3,(H,25,26)(H,27,32)/t20-/m0/s1
InChIKeyRGEBTPUHQBJGRA-FQEVSTJZSA-N
XLogP4.13
TPSA117.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.44
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (6S)-N-(4-acetylphenyl)-6-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (6S)-N-(4-acetylphenyl)-6-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide?
The IUPAC name of (6S)-N-(4-acetylphenyl)-6-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide (CID 26745179) is (6S)-N-(4-acetylphenyl)-6-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide.
What is the SMILES notation for (6S)-N-(4-acetylphenyl)-6-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide?
The canonical SMILES for (6S)-N-(4-acetylphenyl)-6-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide is CC(=O)c1ccc(NC(=O)N2Cc3[nH]cnc3C[C@H]2c2nc(-c3ccc(F)cc3)no2)cc1.
What is the InChIKey of (6S)-N-(4-acetylphenyl)-6-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide?
The InChIKey is RGEBTPUHQBJGRA-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H19FN6O3/c1-13(31)14-4-8-17(9-5-14)27-23(32)30-11-19-18(25-12-26-19)10-20(30)22-28-21(29-33-22)15-2-6-16(24)7-3-15/h2-9,12,20H,10-11H2,1H3,(H,25,26)(H,27,32)/t20-/m0/s1.
What are the key properties of (6S)-N-(4-acetylphenyl)-6-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide?
(6S)-N-(4-acetylphenyl)-6-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide has a molecular weight of 446.44 g/mol, XLogP of 4.13, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-N-(4-acetylphenyl)-6-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide is sourced from PubChem (CID 26745179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).