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

C19H17FN4O — CID 155525178

IUPACN-[4-[5-(4-fluorophenyl)-2-methyl-1H-imidazol-4-yl]-2-pyridinyl]cyclopropanecarboxamide
SMILESCc1nc(-c2ccnc(NC(=O)C3CC3)c2)c(-c2ccc(F)cc2)[nH]1
InChIInChI=1S/C19H17FN4O/c1-11-22-17(12-4-6-15(20)7-5-12)18(23-11)14-8-9-21-16(10-14)24-19(25)13-2-3-13/h4-10,13H,2-3H2,1H3,(H,22,23)(H,21,24,25)
InChIKeyBHOZITIWJBGALO-UHFFFAOYSA-N
MW336.37 g/mol
LogP3.93
Rot. Bonds4

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

N-[4-[5-(4-fluorophenyl)-2-methyl-1H-imidazol-4-yl]-2-pyridinyl]cyclopropanecarboxamide (PubChem CID 155525178) has the molecular formula C19H17FN4O and a molecular weight of 336.37 g/mol. Its IUPAC name is N-[4-[5-(4-fluorophenyl)-2-methyl-1H-imidazol-4-yl]-2-pyridinyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[5-(4-fluorophenyl)-2-methyl-1H-imidazol-4-yl]-2-pyridinyl]cyclopropanecarboxamide
PubChem CID155525178
Molecular FormulaC19H17FN4O
Molecular Weight336.37 g/mol
Exact Mass336.14
IUPAC NameN-[4-[5-(4-fluorophenyl)-2-methyl-1H-imidazol-4-yl]-2-pyridinyl]cyclopropanecarboxamide
SMILESCc1nc(-c2ccnc(NC(=O)C3CC3)c2)c(-c2ccc(F)cc2)[nH]1
InChIInChI=1S/C19H17FN4O/c1-11-22-17(12-4-6-15(20)7-5-12)18(23-11)14-8-9-21-16(10-14)24-19(25)13-2-3-13/h4-10,13H,2-3H2,1H3,(H,22,23)(H,21,24,25)
InChIKeyBHOZITIWJBGALO-UHFFFAOYSA-N
XLogP3.93
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-[5-(4-fluorophenyl)-2-methyl-1H-imidazol-4-yl]-2-pyridinyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[5-(4-fluorophenyl)-2-methyl-1H-imidazol-4-yl]-2-pyridinyl]cyclopropanecarboxamide (CID 155525178) is N-[4-[5-(4-fluorophenyl)-2-methyl-1H-imidazol-4-yl]-2-pyridinyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[5-(4-fluorophenyl)-2-methyl-1H-imidazol-4-yl]-2-pyridinyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[5-(4-fluorophenyl)-2-methyl-1H-imidazol-4-yl]-2-pyridinyl]cyclopropanecarboxamide is Cc1nc(-c2ccnc(NC(=O)C3CC3)c2)c(-c2ccc(F)cc2)[nH]1.
What is the InChIKey of N-[4-[5-(4-fluorophenyl)-2-methyl-1H-imidazol-4-yl]-2-pyridinyl]cyclopropanecarboxamide?
The InChIKey is BHOZITIWJBGALO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O/c1-11-22-17(12-4-6-15(20)7-5-12)18(23-11)14-8-9-21-16(10-14)24-19(25)13-2-3-13/h4-10,13H,2-3H2,1H3,(H,22,23)(H,21,24,25).
What are the key properties of N-[4-[5-(4-fluorophenyl)-2-methyl-1H-imidazol-4-yl]-2-pyridinyl]cyclopropanecarboxamide?
N-[4-[5-(4-fluorophenyl)-2-methyl-1H-imidazol-4-yl]-2-pyridinyl]cyclopropanecarboxamide has a molecular weight of 336.37 g/mol, XLogP of 3.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-(4-fluorophenyl)-2-methyl-1H-imidazol-4-yl]-2-pyridinyl]cyclopropanecarboxamide is sourced from PubChem (CID 155525178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).