N-[4-[5-(4-fluorophenyl)-2-(furan-2-yl)-1H-imidazol-4-yl]-2-pyridinyl]cyclopropanecarboxamide

C22H17FN4O2 — CID 155538694

IUPACN-[4-[5-(4-fluorophenyl)-2-(furan-2-yl)-1H-imidazol-4-yl]-2-pyridinyl]cyclopropanecarboxamide
SMILESO=C(Nc1cc(-c2nc(-c3ccco3)[nH]c2-c2ccc(F)cc2)ccn1)C1CC1
InChIInChI=1S/C22H17FN4O2/c23-16-7-5-13(6-8-16)19-20(27-21(26-19)17-2-1-11-29-17)15-9-10-24-18(12-15)25-22(28)14-3-4-14/h1-2,5-12,14H,3-4H2,(H,26,27)(H,24,25,28)
InChIKeyWSBSGWDWALJLJA-UHFFFAOYSA-N
MW388.40 g/mol
LogP4.89
Rot. Bonds5

About N-[4-[5-(4-fluorophenyl)-2-(furan-2-yl)-1H-imidazol-4-yl]-2-pyridinyl]cyclopropanecarboxamide

N-[4-[5-(4-fluorophenyl)-2-(furan-2-yl)-1H-imidazol-4-yl]-2-pyridinyl]cyclopropanecarboxamide (PubChem CID 155538694) has the molecular formula C22H17FN4O2 and a molecular weight of 388.40 g/mol. Its IUPAC name is N-[4-[5-(4-fluorophenyl)-2-(furan-2-yl)-1H-imidazol-4-yl]-2-pyridinyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[5-(4-fluorophenyl)-2-(furan-2-yl)-1H-imidazol-4-yl]-2-pyridinyl]cyclopropanecarboxamide
PubChem CID155538694
Molecular FormulaC22H17FN4O2
Molecular Weight388.40 g/mol
Exact Mass388.13
IUPAC NameN-[4-[5-(4-fluorophenyl)-2-(furan-2-yl)-1H-imidazol-4-yl]-2-pyridinyl]cyclopropanecarboxamide
SMILESO=C(Nc1cc(-c2nc(-c3ccco3)[nH]c2-c2ccc(F)cc2)ccn1)C1CC1
InChIInChI=1S/C22H17FN4O2/c23-16-7-5-13(6-8-16)19-20(27-21(26-19)17-2-1-11-29-17)15-9-10-24-18(12-15)25-22(28)14-3-4-14/h1-2,5-12,14H,3-4H2,(H,26,27)(H,24,25,28)
InChIKeyWSBSGWDWALJLJA-UHFFFAOYSA-N
XLogP4.89
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.40
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[5-(4-fluorophenyl)-2-(furan-2-yl)-1H-imidazol-4-yl]-2-pyridinyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[5-(4-fluorophenyl)-2-(furan-2-yl)-1H-imidazol-4-yl]-2-pyridinyl]cyclopropanecarboxamide (CID 155538694) is N-[4-[5-(4-fluorophenyl)-2-(furan-2-yl)-1H-imidazol-4-yl]-2-pyridinyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[5-(4-fluorophenyl)-2-(furan-2-yl)-1H-imidazol-4-yl]-2-pyridinyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[5-(4-fluorophenyl)-2-(furan-2-yl)-1H-imidazol-4-yl]-2-pyridinyl]cyclopropanecarboxamide is O=C(Nc1cc(-c2nc(-c3ccco3)[nH]c2-c2ccc(F)cc2)ccn1)C1CC1.
What is the InChIKey of N-[4-[5-(4-fluorophenyl)-2-(furan-2-yl)-1H-imidazol-4-yl]-2-pyridinyl]cyclopropanecarboxamide?
The InChIKey is WSBSGWDWALJLJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN4O2/c23-16-7-5-13(6-8-16)19-20(27-21(26-19)17-2-1-11-29-17)15-9-10-24-18(12-15)25-22(28)14-3-4-14/h1-2,5-12,14H,3-4H2,(H,26,27)(H,24,25,28).
What are the key properties of N-[4-[5-(4-fluorophenyl)-2-(furan-2-yl)-1H-imidazol-4-yl]-2-pyridinyl]cyclopropanecarboxamide?
N-[4-[5-(4-fluorophenyl)-2-(furan-2-yl)-1H-imidazol-4-yl]-2-pyridinyl]cyclopropanecarboxamide has a molecular weight of 388.40 g/mol, XLogP of 4.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-(4-fluorophenyl)-2-(furan-2-yl)-1H-imidazol-4-yl]-2-pyridinyl]cyclopropanecarboxamide is sourced from PubChem (CID 155538694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).