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

C20H19FN4O — CID 155077159

IUPACN-[4-[2-ethyl-5-(4-fluorophenyl)-1H-imidazol-4-yl]-2-pyridinyl]cyclopropanecarboxamide
SMILESCCc1nc(-c2ccnc(NC(=O)C3CC3)c2)c(-c2ccc(F)cc2)[nH]1
InChIInChI=1S/C20H19FN4O/c1-2-16-23-18(12-5-7-15(21)8-6-12)19(24-16)14-9-10-22-17(11-14)25-20(26)13-3-4-13/h5-11,13H,2-4H2,1H3,(H,23,24)(H,22,25,26)
InChIKeyXBFRRCZSSOFGAI-UHFFFAOYSA-N
MW350.40 g/mol
LogP4.19
Rot. Bonds5

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

N-[4-[2-ethyl-5-(4-fluorophenyl)-1H-imidazol-4-yl]-2-pyridinyl]cyclopropanecarboxamide (PubChem CID 155077159) has the molecular formula C20H19FN4O and a molecular weight of 350.40 g/mol. Its IUPAC name is N-[4-[2-ethyl-5-(4-fluorophenyl)-1H-imidazol-4-yl]-2-pyridinyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[2-ethyl-5-(4-fluorophenyl)-1H-imidazol-4-yl]-2-pyridinyl]cyclopropanecarboxamide
PubChem CID155077159
Molecular FormulaC20H19FN4O
Molecular Weight350.40 g/mol
Exact Mass350.15
IUPAC NameN-[4-[2-ethyl-5-(4-fluorophenyl)-1H-imidazol-4-yl]-2-pyridinyl]cyclopropanecarboxamide
SMILESCCc1nc(-c2ccnc(NC(=O)C3CC3)c2)c(-c2ccc(F)cc2)[nH]1
InChIInChI=1S/C20H19FN4O/c1-2-16-23-18(12-5-7-15(21)8-6-12)19(24-16)14-9-10-22-17(11-14)25-20(26)13-3-4-13/h5-11,13H,2-4H2,1H3,(H,23,24)(H,22,25,26)
InChIKeyXBFRRCZSSOFGAI-UHFFFAOYSA-N
XLogP4.19
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-ethyl-5-(4-fluorophenyl)-1H-imidazol-4-yl]-2-pyridinyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[2-ethyl-5-(4-fluorophenyl)-1H-imidazol-4-yl]-2-pyridinyl]cyclopropanecarboxamide (CID 155077159) is N-[4-[2-ethyl-5-(4-fluorophenyl)-1H-imidazol-4-yl]-2-pyridinyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[2-ethyl-5-(4-fluorophenyl)-1H-imidazol-4-yl]-2-pyridinyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[2-ethyl-5-(4-fluorophenyl)-1H-imidazol-4-yl]-2-pyridinyl]cyclopropanecarboxamide is CCc1nc(-c2ccnc(NC(=O)C3CC3)c2)c(-c2ccc(F)cc2)[nH]1.
What is the InChIKey of N-[4-[2-ethyl-5-(4-fluorophenyl)-1H-imidazol-4-yl]-2-pyridinyl]cyclopropanecarboxamide?
The InChIKey is XBFRRCZSSOFGAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O/c1-2-16-23-18(12-5-7-15(21)8-6-12)19(24-16)14-9-10-22-17(11-14)25-20(26)13-3-4-13/h5-11,13H,2-4H2,1H3,(H,23,24)(H,22,25,26).
What are the key properties of N-[4-[2-ethyl-5-(4-fluorophenyl)-1H-imidazol-4-yl]-2-pyridinyl]cyclopropanecarboxamide?
N-[4-[2-ethyl-5-(4-fluorophenyl)-1H-imidazol-4-yl]-2-pyridinyl]cyclopropanecarboxamide has a molecular weight of 350.40 g/mol, XLogP of 4.19, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-ethyl-5-(4-fluorophenyl)-1H-imidazol-4-yl]-2-pyridinyl]cyclopropanecarboxamide is sourced from PubChem (CID 155077159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).