butyl 4-(4-cyclopropylimidazol-1-yl)-5-fluoropyridine-2-carboxylate;2-chloro-4-(4-cyclopropylimidazol-1-yl)-5-fluoropyridine;2-chloro-5-fluoro-4-iodopyridine;5-cyclopropyl-1H-imidazole;4-(4-cyclopropylimidazol-1-yl)-5-fluoropyridine-2-carboxylic acid

C50H47Cl2F4IN12O4 — CID 159907863

IUPACbutyl 4-(4-cyclopropylimidazol-1-yl)-5-fluoropyridine-2-carboxylate;2-chloro-4-(4-cyclopropylimidazol-1-yl)-5-fluoropyridine;2-chloro-5-fluoro-4-iodopyridine;5-cyclopropyl-1H-imidazole;4-(4-cyclopropylimidazol-1-yl)-5-fluoropyridine-2-carboxylic acid
SMILESCCCCOC(=O)c1cc(-n2cnc(C3CC3)c2)c(F)cn1.Fc1cnc(Cl)cc1-n1cnc(C2CC2)c1.Fc1cnc(Cl)cc1I.O=C(O)c1cc(-n2cnc(C3CC3)c2)c(F)cn1.c1ncc(C2CC2)[nH]1
InChIInChI=1S/C16H18FN3O2.C12H10FN3O2.C11H9ClFN3.C6H8N2.C5H2ClFIN/c1-2-3-6-22-16(21)13-7-15(12(17)8-18-13)20-9-14(19-10-20)11-4-5-11;13-8-4-14-9(12(17)18)3-11(8)16-5-10(15-6-16)7-1-2-7;12-11-3-10(8(13)4-14-11)16-5-9(15-6-16)7-1-2-7;1-2-5(1)6-3-7-4-8-6;6-5-1-4(8)3(7)2-9-5/h7-11H,2-6H2,1H3;3-7H,1-2H2,(H,17,18);3-7H,1-2H2;3-5H,1-2H2,(H,7,8);1-2H
InChIKeyNWUMVSUDGHTPGW-UHFFFAOYSA-N
MW1153.81 g/mol
LogP11.93
Rot. Bonds12

About butyl 4-(4-cyclopropylimidazol-1-yl)-5-fluoropyridine-2-carboxylate;2-chloro-4-(4-cyclopropylimidazol-1-yl)-5-fluoropyridine;2-chloro-5-fluoro-4-iodopyridine;5-cyclopropyl-1H-imidazole;4-(4-cyclopropylimidazol-1-yl)-5-fluoropyridine-2-carboxylic acid

butyl 4-(4-cyclopropylimidazol-1-yl)-5-fluoropyridine-2-carboxylate;2-chloro-4-(4-cyclopropylimidazol-1-yl)-5-fluoropyridine;2-chloro-5-fluoro-4-iodopyridine;5-cyclopropyl-1H-imidazole;4-(4-cyclopropylimidazol-1-yl)-5-fluoropyridine-2-carboxylic acid (PubChem CID 159907863) has the molecular formula C50H47Cl2F4IN12O4 and a molecular weight of 1153.81 g/mol. Its IUPAC name is butyl 4-(4-cyclopropylimidazol-1-yl)-5-fluoropyridine-2-carboxylate;2-chloro-4-(4-cyclopropylimidazol-1-yl)-5-fluoropyridine;2-chloro-5-fluoro-4-iodopyridine;5-cyclopropyl-1H-imidazole;4-(4-cyclopropylimidazol-1-yl)-5-fluoropyridine-2-carboxylic acid.

Molecular Properties

Compound Namebutyl 4-(4-cyclopropylimidazol-1-yl)-5-fluoropyridine-2-carboxylate;2-chloro-4-(4-cyclopropylimidazol-1-yl)-5-fluoropyridine;2-chloro-5-fluoro-4-iodopyridine;5-cyclopropyl-1H-imidazole;4-(4-cyclopropylimidazol-1-yl)-5-fluoropyridine-2-carboxylic acid
PubChem CID159907863
Molecular FormulaC50H47Cl2F4IN12O4
Molecular Weight1153.81 g/mol
Exact Mass1152.22
IUPAC Namebutyl 4-(4-cyclopropylimidazol-1-yl)-5-fluoropyridine-2-carboxylate;2-chloro-4-(4-cyclopropylimidazol-1-yl)-5-fluoropyridine;2-chloro-5-fluoro-4-iodopyridine;5-cyclopropyl-1H-imidazole;4-(4-cyclopropylimidazol-1-yl)-5-fluoropyridine-2-carboxylic acid
SMILESCCCCOC(=O)c1cc(-n2cnc(C3CC3)c2)c(F)cn1.Fc1cnc(Cl)cc1-n1cnc(C2CC2)c1.Fc1cnc(Cl)cc1I.O=C(O)c1cc(-n2cnc(C3CC3)c2)c(F)cn1.c1ncc(C2CC2)[nH]1
InChIInChI=1S/C16H18FN3O2.C12H10FN3O2.C11H9ClFN3.C6H8N2.C5H2ClFIN/c1-2-3-6-22-16(21)13-7-15(12(17)8-18-13)20-9-14(19-10-20)11-4-5-11;13-8-4-14-9(12(17)18)3-11(8)16-5-10(15-6-16)7-1-2-7;12-11-3-10(8(13)4-14-11)16-5-9(15-6-16)7-1-2-7;1-2-5(1)6-3-7-4-8-6;6-5-1-4(8)3(7)2-9-5/h7-11H,2-6H2,1H3;3-7H,1-2H2,(H,17,18);3-7H,1-2H2;3-5H,1-2H2,(H,7,8);1-2H
InChIKeyNWUMVSUDGHTPGW-UHFFFAOYSA-N
XLogP11.93
TPSA197.30 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds12
Heavy Atoms73
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001153.81
LogP ≤ 511.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze butyl 4-(4-cyclopropylimidazol-1-yl)-5-fluoropyridine-2-carboxylate;2-chloro-4-(4-cyclopropylimidazol-1-yl)-5-fluoropyridine;2-chloro-5-fluoro-4-iodopyridine;5-cyclopropyl-1H-imidazole;4-(4-cyclopropylimidazol-1-yl)-5-fluoropyridine-2-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

butyl 4-(4-cyclopropylimidazol-1-yl)-5-methylpyridine-2-carboxylate;2-chloro-4-(4-cyclopropylimidazol-1-yl)-5-methylpyridine;5-cyclopropyl-1H-imidazole;bis(4-(4-cyclopropylimidazol-1-yl)-5-methyl-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]pyridine-2-carboxamide);2,4-dichloro-5-methylpyridine
CID 157138835
CID 157260719
CID 157260719
butyl 4-(4-cyclopropylimidazol-1-yl)-5-fluoropyridine-2-carboxylate;2-chloro-4-(4-cyclopropylimidazol-1-yl)-5-fluoropyridine;2-chloro-5-fluoro-4-iodopyridine;5-cyclopropyl-1H-imidazole;4-(4-cyclopropylimidazol-1-yl)-5-fluoropyridine-2-carboxylic acid;methane
CID 157333182
butyl 4-(4-cyclopropylimidazol-1-yl)-5-methylpyridine-2-carboxylate;2-chloro-4-(4-cyclopropylimidazol-1-yl)-5-methylpyridine;5-cyclopropyl-1H-imidazole;bis(4-(4-cyclopropylimidazol-1-yl)-5-methyl-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]pyridine-2-carboxamide);2,4-dichloro-5-methylpyridine;methane
CID 157779586
Butyl 4-(4-cyclopropylimidazol-1-yl)-5-fluoropyridine-2-carboxylate;2-chloro-4-(4-cyclopropylimidazol-1-yl)-5-fluoropyridine
CID 160697908
CID 161509949
CID 161509949

Frequently Asked Questions

What is the IUPAC name of butyl 4-(4-cyclopropylimidazol-1-yl)-5-fluoropyridine-2-carboxylate;2-chloro-4-(4-cyclopropylimidazol-1-yl)-5-fluoropyridine;2-chloro-5-fluoro-4-iodopyridine;5-cyclopropyl-1H-imidazole;4-(4-cyclopropylimidazol-1-yl)-5-fluoropyridine-2-carboxylic acid?
The IUPAC name of butyl 4-(4-cyclopropylimidazol-1-yl)-5-fluoropyridine-2-carboxylate;2-chloro-4-(4-cyclopropylimidazol-1-yl)-5-fluoropyridine;2-chloro-5-fluoro-4-iodopyridine;5-cyclopropyl-1H-imidazole;4-(4-cyclopropylimidazol-1-yl)-5-fluoropyridine-2-carboxylic acid (CID 159907863) is butyl 4-(4-cyclopropylimidazol-1-yl)-5-fluoropyridine-2-carboxylate;2-chloro-4-(4-cyclopropylimidazol-1-yl)-5-fluoropyridine;2-chloro-5-fluoro-4-iodopyridine;5-cyclopropyl-1H-imidazole;4-(4-cyclopropylimidazol-1-yl)-5-fluoropyridine-2-carboxylic acid.
What is the SMILES notation for butyl 4-(4-cyclopropylimidazol-1-yl)-5-fluoropyridine-2-carboxylate;2-chloro-4-(4-cyclopropylimidazol-1-yl)-5-fluoropyridine;2-chloro-5-fluoro-4-iodopyridine;5-cyclopropyl-1H-imidazole;4-(4-cyclopropylimidazol-1-yl)-5-fluoropyridine-2-carboxylic acid?
The canonical SMILES for butyl 4-(4-cyclopropylimidazol-1-yl)-5-fluoropyridine-2-carboxylate;2-chloro-4-(4-cyclopropylimidazol-1-yl)-5-fluoropyridine;2-chloro-5-fluoro-4-iodopyridine;5-cyclopropyl-1H-imidazole;4-(4-cyclopropylimidazol-1-yl)-5-fluoropyridine-2-carboxylic acid is CCCCOC(=O)c1cc(-n2cnc(C3CC3)c2)c(F)cn1.Fc1cnc(Cl)cc1-n1cnc(C2CC2)c1.Fc1cnc(Cl)cc1I.O=C(O)c1cc(-n2cnc(C3CC3)c2)c(F)cn1.c1ncc(C2CC2)[nH]1.
What is the InChIKey of butyl 4-(4-cyclopropylimidazol-1-yl)-5-fluoropyridine-2-carboxylate;2-chloro-4-(4-cyclopropylimidazol-1-yl)-5-fluoropyridine;2-chloro-5-fluoro-4-iodopyridine;5-cyclopropyl-1H-imidazole;4-(4-cyclopropylimidazol-1-yl)-5-fluoropyridine-2-carboxylic acid?
The InChIKey is NWUMVSUDGHTPGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O2.C12H10FN3O2.C11H9ClFN3.C6H8N2.C5H2ClFIN/c1-2-3-6-22-16(21)13-7-15(12(17)8-18-13)20-9-14(19-10-20)11-4-5-11;13-8-4-14-9(12(17)18)3-11(8)16-5-10(15-6-16)7-1-2-7;12-11-3-10(8(13)4-14-11)16-5-9(15-6-16)7-1-2-7;1-2-5(1)6-3-7-4-8-6;6-5-1-4(8)3(7)2-9-5/h7-11H,2-6H2,1H3;3-7H,1-2H2,(H,17,18);3-7H,1-2H2;3-5H,1-2H2,(H,7,8);1-2H.
What are the key properties of butyl 4-(4-cyclopropylimidazol-1-yl)-5-fluoropyridine-2-carboxylate;2-chloro-4-(4-cyclopropylimidazol-1-yl)-5-fluoropyridine;2-chloro-5-fluoro-4-iodopyridine;5-cyclopropyl-1H-imidazole;4-(4-cyclopropylimidazol-1-yl)-5-fluoropyridine-2-carboxylic acid?
butyl 4-(4-cyclopropylimidazol-1-yl)-5-fluoropyridine-2-carboxylate;2-chloro-4-(4-cyclopropylimidazol-1-yl)-5-fluoropyridine;2-chloro-5-fluoro-4-iodopyridine;5-cyclopropyl-1H-imidazole;4-(4-cyclopropylimidazol-1-yl)-5-fluoropyridine-2-carboxylic acid has a molecular weight of 1153.81 g/mol, XLogP of 11.93, 12 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 4-(4-cyclopropylimidazol-1-yl)-5-fluoropyridine-2-carboxylate;2-chloro-4-(4-cyclopropylimidazol-1-yl)-5-fluoropyridine;2-chloro-5-fluoro-4-iodopyridine;5-cyclopropyl-1H-imidazole;4-(4-cyclopropylimidazol-1-yl)-5-fluoropyridine-2-carboxylic acid is sourced from PubChem (CID 159907863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).