5-cyclopropyl-1H-imidazole;4-(4-cyclopropylimidazol-1-yl)pyridine-2-carboxylic acid;4-fluoropyridine-2-carboxylic acid

C24H23FN6O4 — CID 161154309

IUPAC5-cyclopropyl-1H-imidazole;4-(4-cyclopropylimidazol-1-yl)pyridine-2-carboxylic acid;4-fluoropyridine-2-carboxylic acid
SMILESO=C(O)c1cc(-n2cnc(C3CC3)c2)ccn1.O=C(O)c1cc(F)ccn1.c1ncc(C2CC2)[nH]1
InChIInChI=1S/C12H11N3O2.C6H4FNO2.C6H8N2/c16-12(17)10-5-9(3-4-13-10)15-6-11(14-7-15)8-1-2-8;7-4-1-2-8-5(3-4)6(9)10;1-2-5(1)6-3-7-4-8-6/h3-8H,1-2H2,(H,16,17);1-3H,(H,9,10);3-5H,1-2H2,(H,7,8)
InChIKeyUPCAGYCHSNXINZ-UHFFFAOYSA-N
MW478.48 g/mol
LogP4.05
Rot. Bonds5

About 5-cyclopropyl-1H-imidazole;4-(4-cyclopropylimidazol-1-yl)pyridine-2-carboxylic acid;4-fluoropyridine-2-carboxylic acid

5-cyclopropyl-1H-imidazole;4-(4-cyclopropylimidazol-1-yl)pyridine-2-carboxylic acid;4-fluoropyridine-2-carboxylic acid (PubChem CID 161154309) has the molecular formula C24H23FN6O4 and a molecular weight of 478.48 g/mol. Its IUPAC name is 5-cyclopropyl-1H-imidazole;4-(4-cyclopropylimidazol-1-yl)pyridine-2-carboxylic acid;4-fluoropyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-cyclopropyl-1H-imidazole;4-(4-cyclopropylimidazol-1-yl)pyridine-2-carboxylic acid;4-fluoropyridine-2-carboxylic acid
PubChem CID161154309
Molecular FormulaC24H23FN6O4
Molecular Weight478.48 g/mol
Exact Mass478.18
IUPAC Name5-cyclopropyl-1H-imidazole;4-(4-cyclopropylimidazol-1-yl)pyridine-2-carboxylic acid;4-fluoropyridine-2-carboxylic acid
SMILESO=C(O)c1cc(-n2cnc(C3CC3)c2)ccn1.O=C(O)c1cc(F)ccn1.c1ncc(C2CC2)[nH]1
InChIInChI=1S/C12H11N3O2.C6H4FNO2.C6H8N2/c16-12(17)10-5-9(3-4-13-10)15-6-11(14-7-15)8-1-2-8;7-4-1-2-8-5(3-4)6(9)10;1-2-5(1)6-3-7-4-8-6/h3-8H,1-2H2,(H,16,17);1-3H,(H,9,10);3-5H,1-2H2,(H,7,8)
InChIKeyUPCAGYCHSNXINZ-UHFFFAOYSA-N
XLogP4.05
TPSA146.88 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.48
LogP ≤ 54.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

6-(4-cyclopropylimidazol-1-yl)naphthalene-2-carboxylic acid
CID 137435694
4-(3-cyclopropylpyrazol-1-yl)pyridine-2-carboxylic acid
CID 62493956
(4-fluorophenyl)-[(3S)-3-(1-pyridin-4-ylimidazol-4-yl)piperidin-1-yl]methanone
CID 175246374
6-(4-cyclopropylimidazol-1-yl)-1-benzofuran-2-carboxylic acid
CID 142499862
4-(4-cyclopropylimidazol-1-yl)-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]pyridine-2-carboxamide
CID 70802176
3-[4-(1-acetylpiperidin-4-yl)imidazol-1-yl]benzoic acid
CID 174718580
7-(4-cyclopropylimidazol-1-yl)-3,4-dihydro-2H-isoquinolin-1-one
CID 147958590
(4-fluorophenyl)-[3-(1-phenylimidazol-4-yl)piperidin-1-yl]methanone
CID 174501896
N-(3-fluorophenyl)-4-(1H-imidazol-5-yl)piperidine-1-carbothioamide
CID 10685941
[3-[1-(3-fluorophenyl)imidazol-4-yl]piperidin-1-yl] 2,2-dimethylpropanoate
CID 174516086
4-(4-cyclopropylimidazol-1-yl)-N-[3-[4-(1,1,1-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]phenyl]pyridine-2-carboxamide
CID 66851754
4-(1H-imidazol-5-yl)-1-(4-nitrophenyl)piperidine;iodomethane;4-(1-methylimidazol-4-yl)-1-(4-nitrophenyl)piperidine;4-(3-methylimidazol-4-yl)-1-(4-nitrophenyl)piperidine
CID 158877194

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1H-imidazole;4-(4-cyclopropylimidazol-1-yl)pyridine-2-carboxylic acid;4-fluoropyridine-2-carboxylic acid?
The IUPAC name of 5-cyclopropyl-1H-imidazole;4-(4-cyclopropylimidazol-1-yl)pyridine-2-carboxylic acid;4-fluoropyridine-2-carboxylic acid (CID 161154309) is 5-cyclopropyl-1H-imidazole;4-(4-cyclopropylimidazol-1-yl)pyridine-2-carboxylic acid;4-fluoropyridine-2-carboxylic acid.
What is the SMILES notation for 5-cyclopropyl-1H-imidazole;4-(4-cyclopropylimidazol-1-yl)pyridine-2-carboxylic acid;4-fluoropyridine-2-carboxylic acid?
The canonical SMILES for 5-cyclopropyl-1H-imidazole;4-(4-cyclopropylimidazol-1-yl)pyridine-2-carboxylic acid;4-fluoropyridine-2-carboxylic acid is O=C(O)c1cc(-n2cnc(C3CC3)c2)ccn1.O=C(O)c1cc(F)ccn1.c1ncc(C2CC2)[nH]1.
What is the InChIKey of 5-cyclopropyl-1H-imidazole;4-(4-cyclopropylimidazol-1-yl)pyridine-2-carboxylic acid;4-fluoropyridine-2-carboxylic acid?
The InChIKey is UPCAGYCHSNXINZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O2.C6H4FNO2.C6H8N2/c16-12(17)10-5-9(3-4-13-10)15-6-11(14-7-15)8-1-2-8;7-4-1-2-8-5(3-4)6(9)10;1-2-5(1)6-3-7-4-8-6/h3-8H,1-2H2,(H,16,17);1-3H,(H,9,10);3-5H,1-2H2,(H,7,8).
What are the key properties of 5-cyclopropyl-1H-imidazole;4-(4-cyclopropylimidazol-1-yl)pyridine-2-carboxylic acid;4-fluoropyridine-2-carboxylic acid?
5-cyclopropyl-1H-imidazole;4-(4-cyclopropylimidazol-1-yl)pyridine-2-carboxylic acid;4-fluoropyridine-2-carboxylic acid has a molecular weight of 478.48 g/mol, XLogP of 4.05, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-1H-imidazole;4-(4-cyclopropylimidazol-1-yl)pyridine-2-carboxylic acid;4-fluoropyridine-2-carboxylic acid is sourced from PubChem (CID 161154309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).