N-[(3-chloro-4-fluorophenyl)methyl]-1-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide

C21H16ClFN6O2 — CID 53489777

IUPACN-[(3-chloro-4-fluorophenyl)methyl]-1-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide
SMILESO=C(NCc1ccc(F)c(Cl)c1)c1cn(-c2ccc(-c3nc(C4CC4)no3)cn2)cn1
InChIInChI=1S/C21H16ClFN6O2/c22-15-7-12(1-5-16(15)23)8-25-20(30)17-10-29(11-26-17)18-6-4-14(9-24-18)21-27-19(28-31-21)13-2-3-13/h1,4-7,9-11,13H,2-3,8H2,(H,25,30)
InChIKeyQQJVRLAZVITQHR-UHFFFAOYSA-N
MW438.85 g/mol
LogP3.92
Rot. Bonds6

About N-[(3-chloro-4-fluorophenyl)methyl]-1-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide

N-[(3-chloro-4-fluorophenyl)methyl]-1-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide (PubChem CID 53489777) has the molecular formula C21H16ClFN6O2 and a molecular weight of 438.85 g/mol. Its IUPAC name is N-[(3-chloro-4-fluorophenyl)methyl]-1-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3-chloro-4-fluorophenyl)methyl]-1-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide
PubChem CID53489777
Molecular FormulaC21H16ClFN6O2
Molecular Weight438.85 g/mol
Exact Mass438.10
IUPAC NameN-[(3-chloro-4-fluorophenyl)methyl]-1-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide
SMILESO=C(NCc1ccc(F)c(Cl)c1)c1cn(-c2ccc(-c3nc(C4CC4)no3)cn2)cn1
InChIInChI=1S/C21H16ClFN6O2/c22-15-7-12(1-5-16(15)23)8-25-20(30)17-10-29(11-26-17)18-6-4-14(9-24-18)21-27-19(28-31-21)13-2-3-13/h1,4-7,9-11,13H,2-3,8H2,(H,25,30)
InChIKeyQQJVRLAZVITQHR-UHFFFAOYSA-N
XLogP3.92
TPSA98.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.85
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-fluorophenyl)methyl]-1-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide?
The IUPAC name of N-[(3-chloro-4-fluorophenyl)methyl]-1-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide (CID 53489777) is N-[(3-chloro-4-fluorophenyl)methyl]-1-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide.
What is the SMILES notation for N-[(3-chloro-4-fluorophenyl)methyl]-1-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide?
The canonical SMILES for N-[(3-chloro-4-fluorophenyl)methyl]-1-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide is O=C(NCc1ccc(F)c(Cl)c1)c1cn(-c2ccc(-c3nc(C4CC4)no3)cn2)cn1.
What is the InChIKey of N-[(3-chloro-4-fluorophenyl)methyl]-1-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide?
The InChIKey is QQJVRLAZVITQHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClFN6O2/c22-15-7-12(1-5-16(15)23)8-25-20(30)17-10-29(11-26-17)18-6-4-14(9-24-18)21-27-19(28-31-21)13-2-3-13/h1,4-7,9-11,13H,2-3,8H2,(H,25,30).
What are the key properties of N-[(3-chloro-4-fluorophenyl)methyl]-1-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide?
N-[(3-chloro-4-fluorophenyl)methyl]-1-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide has a molecular weight of 438.85 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-fluorophenyl)methyl]-1-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide is sourced from PubChem (CID 53489777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).