5-(4-fluorophenyl)-7-(1-methylcyclopropyl)furo[3,2-b]pyridine-2-carboxylic acid;5-(4-fluorophenyl)-7-prop-1-en-2-ylfuro[3,2-b]pyridine-2-carboxylic acid;methane;methyl 5-(4-fluorophenyl)-7-(1-methylcyclopropyl)furo[3,2-b]pyridine-2-carboxylate;molecular iodine;hydroiodide

C56H51F3I3N3O9 — CID 159342716

IUPAC5-(4-fluorophenyl)-7-(1-methylcyclopropyl)furo[3,2-b]pyridine-2-carboxylic acid;5-(4-fluorophenyl)-7-prop-1-en-2-ylfuro[3,2-b]pyridine-2-carboxylic acid;methane;methyl 5-(4-fluorophenyl)-7-(1-methylcyclopropyl)furo[3,2-b]pyridine-2-carboxylate;molecular iodine;hydroiodide
SMILESC.C.C=C(C)c1cc(-c2ccc(F)cc2)nc2cc(C(=O)O)oc12.CC1(c2cc(-c3ccc(F)cc3)nc3cc(C(=O)O)oc23)CC1.COC(=O)c1cc2nc(-c3ccc(F)cc3)cc(C3(C)CC3)c2o1.I.II
InChIInChI=1S/C19H16FNO3.C18H14FNO3.C17H12FNO3.2CH4.I2.HI/c1-19(7-8-19)13-9-14(11-3-5-12(20)6-4-11)21-15-10-16(18(22)23-2)24-17(13)15;1-18(6-7-18)12-8-13(10-2-4-11(19)5-3-10)20-14-9-15(17(21)22)23-16(12)14;1-9(2)12-7-13(10-3-5-11(18)6-4-10)19-14-8-15(17(20)21)22-16(12)14;;;1-2;/h3-6,9-10H,7-8H2,1-2H3;2-5,8-9H,6-7H2,1H3,(H,21,22);3-8H,1H2,2H3,(H,20,21);2*1H4;;1H
InChIKeyVVZPWSONLHRYNI-UHFFFAOYSA-N
MW1347.74 g/mol
LogP16.88
Rot. Bonds9

About 5-(4-fluorophenyl)-7-(1-methylcyclopropyl)furo[3,2-b]pyridine-2-carboxylic acid;5-(4-fluorophenyl)-7-prop-1-en-2-ylfuro[3,2-b]pyridine-2-carboxylic acid;methane;methyl 5-(4-fluorophenyl)-7-(1-methylcyclopropyl)furo[3,2-b]pyridine-2-carboxylate;molecular iodine;hydroiodide

5-(4-fluorophenyl)-7-(1-methylcyclopropyl)furo[3,2-b]pyridine-2-carboxylic acid;5-(4-fluorophenyl)-7-prop-1-en-2-ylfuro[3,2-b]pyridine-2-carboxylic acid;methane;methyl 5-(4-fluorophenyl)-7-(1-methylcyclopropyl)furo[3,2-b]pyridine-2-carboxylate;molecular iodine;hydroiodide (PubChem CID 159342716) has the molecular formula C56H51F3I3N3O9 and a molecular weight of 1347.74 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-7-(1-methylcyclopropyl)furo[3,2-b]pyridine-2-carboxylic acid;5-(4-fluorophenyl)-7-prop-1-en-2-ylfuro[3,2-b]pyridine-2-carboxylic acid;methane;methyl 5-(4-fluorophenyl)-7-(1-methylcyclopropyl)furo[3,2-b]pyridine-2-carboxylate;molecular iodine;hydroiodide.

Molecular Properties

Compound Name5-(4-fluorophenyl)-7-(1-methylcyclopropyl)furo[3,2-b]pyridine-2-carboxylic acid;5-(4-fluorophenyl)-7-prop-1-en-2-ylfuro[3,2-b]pyridine-2-carboxylic acid;methane;methyl 5-(4-fluorophenyl)-7-(1-methylcyclopropyl)furo[3,2-b]pyridine-2-carboxylate;molecular iodine;hydroiodide
PubChem CID159342716
Molecular FormulaC56H51F3I3N3O9
Molecular Weight1347.74 g/mol
Exact Mass1347.07
IUPAC Name5-(4-fluorophenyl)-7-(1-methylcyclopropyl)furo[3,2-b]pyridine-2-carboxylic acid;5-(4-fluorophenyl)-7-prop-1-en-2-ylfuro[3,2-b]pyridine-2-carboxylic acid;methane;methyl 5-(4-fluorophenyl)-7-(1-methylcyclopropyl)furo[3,2-b]pyridine-2-carboxylate;molecular iodine;hydroiodide
SMILESC.C.C=C(C)c1cc(-c2ccc(F)cc2)nc2cc(C(=O)O)oc12.CC1(c2cc(-c3ccc(F)cc3)nc3cc(C(=O)O)oc23)CC1.COC(=O)c1cc2nc(-c3ccc(F)cc3)cc(C3(C)CC3)c2o1.I.II
InChIInChI=1S/C19H16FNO3.C18H14FNO3.C17H12FNO3.2CH4.I2.HI/c1-19(7-8-19)13-9-14(11-3-5-12(20)6-4-11)21-15-10-16(18(22)23-2)24-17(13)15;1-18(6-7-18)12-8-13(10-2-4-11(19)5-3-10)20-14-9-15(17(21)22)23-16(12)14;1-9(2)12-7-13(10-3-5-11(18)6-4-10)19-14-8-15(17(20)21)22-16(12)14;;;1-2;/h3-6,9-10H,7-8H2,1-2H3;2-5,8-9H,6-7H2,1H3,(H,21,22);3-8H,1H2,2H3,(H,20,21);2*1H4;;1H
InChIKeyVVZPWSONLHRYNI-UHFFFAOYSA-N
XLogP16.88
TPSA178.99 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001347.74
LogP ≤ 516.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 5-(4-fluorophenyl)-7-(1-methylcyclopropyl)furo[3,2-b]pyridine-2-carboxylic acid;5-(4-fluorophenyl)-7-prop-1-en-2-ylfuro[3,2-b]pyridine-2-carboxylic acid;methane;methyl 5-(4-fluorophenyl)-7-(1-methylcyclopropyl)furo[3,2-b]pyridine-2-carboxylate;molecular iodine;hydroiodide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(4-fluorophenyl)-7-prop-1-en-2-ylfuro[3,2-b]pyridine-2-carboxylic acid
CID 122573995
tert-butyl 4-[5-(4-fluorophenyl)-7-(1-methylcyclopropyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazine-1-carboxylate;(2,2-dimethylpiperazin-4-ium-1-yl)-[5-(4-fluorophenyl)-7-(1-methylcyclopropyl)furo[3,2-b]pyridin-2-yl]methanone;5-(4-fluorophenyl)-7-(1-methylcyclopropyl)furo[3,2-b]pyridine-2-carboxylic acid;methane;molecular iodine;hydrochloride;hydroiodide
CID 161122641
7-butan-2-yl-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carboxylic acid
CID 122574086
[1-[7-(3,3-difluoro-1-isocyanocyclobutyl)-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-2,2-dimethylpiperidin-4-yl]-(3-hydroxy-3-methylcyclobutyl)methanone
CID 140846189
[7-chloro-5-(4-fluorophenyl)furo[3,2-b]pyridin-2-yl]-(2,2-dimethylpiperazin-1-yl)methanone
CID 122573881
methyl 3-cyclopropyl-1-(4-fluorophenyl)-6-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxylate
CID 25247525
1-[7-tert-butyl-5-(4-fluorophenyl)furo[3,2-b]pyridin-2-yl]-2-methylpropan-1-one
CID 142311055
4-[7-tert-butyl-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-1,3,3-trimethylpiperazin-2-one
CID 122573910
1-tert-butyl-4-[7-tert-butyl-5-(4-fluorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethylpiperazin-2-one
CID 122573970
7-tert-butyl-5-(4-fluoro-3-methylphenyl)furo[3,2-b]pyridine-2-carboxylic acid
CID 122573980
[2-(4-fluorophenyl)quinolin-4-yl]-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 119544927
[4-(ethylaminomethyl)piperidin-1-yl]-[2-(4-fluorophenyl)quinolin-4-yl]methanone
CID 119646409

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-7-(1-methylcyclopropyl)furo[3,2-b]pyridine-2-carboxylic acid;5-(4-fluorophenyl)-7-prop-1-en-2-ylfuro[3,2-b]pyridine-2-carboxylic acid;methane;methyl 5-(4-fluorophenyl)-7-(1-methylcyclopropyl)furo[3,2-b]pyridine-2-carboxylate;molecular iodine;hydroiodide?
The IUPAC name of 5-(4-fluorophenyl)-7-(1-methylcyclopropyl)furo[3,2-b]pyridine-2-carboxylic acid;5-(4-fluorophenyl)-7-prop-1-en-2-ylfuro[3,2-b]pyridine-2-carboxylic acid;methane;methyl 5-(4-fluorophenyl)-7-(1-methylcyclopropyl)furo[3,2-b]pyridine-2-carboxylate;molecular iodine;hydroiodide (CID 159342716) is 5-(4-fluorophenyl)-7-(1-methylcyclopropyl)furo[3,2-b]pyridine-2-carboxylic acid;5-(4-fluorophenyl)-7-prop-1-en-2-ylfuro[3,2-b]pyridine-2-carboxylic acid;methane;methyl 5-(4-fluorophenyl)-7-(1-methylcyclopropyl)furo[3,2-b]pyridine-2-carboxylate;molecular iodine;hydroiodide.
What is the SMILES notation for 5-(4-fluorophenyl)-7-(1-methylcyclopropyl)furo[3,2-b]pyridine-2-carboxylic acid;5-(4-fluorophenyl)-7-prop-1-en-2-ylfuro[3,2-b]pyridine-2-carboxylic acid;methane;methyl 5-(4-fluorophenyl)-7-(1-methylcyclopropyl)furo[3,2-b]pyridine-2-carboxylate;molecular iodine;hydroiodide?
The canonical SMILES for 5-(4-fluorophenyl)-7-(1-methylcyclopropyl)furo[3,2-b]pyridine-2-carboxylic acid;5-(4-fluorophenyl)-7-prop-1-en-2-ylfuro[3,2-b]pyridine-2-carboxylic acid;methane;methyl 5-(4-fluorophenyl)-7-(1-methylcyclopropyl)furo[3,2-b]pyridine-2-carboxylate;molecular iodine;hydroiodide is C.C.C=C(C)c1cc(-c2ccc(F)cc2)nc2cc(C(=O)O)oc12.CC1(c2cc(-c3ccc(F)cc3)nc3cc(C(=O)O)oc23)CC1.COC(=O)c1cc2nc(-c3ccc(F)cc3)cc(C3(C)CC3)c2o1.I.II.
What is the InChIKey of 5-(4-fluorophenyl)-7-(1-methylcyclopropyl)furo[3,2-b]pyridine-2-carboxylic acid;5-(4-fluorophenyl)-7-prop-1-en-2-ylfuro[3,2-b]pyridine-2-carboxylic acid;methane;methyl 5-(4-fluorophenyl)-7-(1-methylcyclopropyl)furo[3,2-b]pyridine-2-carboxylate;molecular iodine;hydroiodide?
The InChIKey is VVZPWSONLHRYNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FNO3.C18H14FNO3.C17H12FNO3.2CH4.I2.HI/c1-19(7-8-19)13-9-14(11-3-5-12(20)6-4-11)21-15-10-16(18(22)23-2)24-17(13)15;1-18(6-7-18)12-8-13(10-2-4-11(19)5-3-10)20-14-9-15(17(21)22)23-16(12)14;1-9(2)12-7-13(10-3-5-11(18)6-4-10)19-14-8-15(17(20)21)22-16(12)14;;;1-2;/h3-6,9-10H,7-8H2,1-2H3;2-5,8-9H,6-7H2,1H3,(H,21,22);3-8H,1H2,2H3,(H,20,21);2*1H4;;1H.
What are the key properties of 5-(4-fluorophenyl)-7-(1-methylcyclopropyl)furo[3,2-b]pyridine-2-carboxylic acid;5-(4-fluorophenyl)-7-prop-1-en-2-ylfuro[3,2-b]pyridine-2-carboxylic acid;methane;methyl 5-(4-fluorophenyl)-7-(1-methylcyclopropyl)furo[3,2-b]pyridine-2-carboxylate;molecular iodine;hydroiodide?
5-(4-fluorophenyl)-7-(1-methylcyclopropyl)furo[3,2-b]pyridine-2-carboxylic acid;5-(4-fluorophenyl)-7-prop-1-en-2-ylfuro[3,2-b]pyridine-2-carboxylic acid;methane;methyl 5-(4-fluorophenyl)-7-(1-methylcyclopropyl)furo[3,2-b]pyridine-2-carboxylate;molecular iodine;hydroiodide has a molecular weight of 1347.74 g/mol, XLogP of 16.88, 9 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-7-(1-methylcyclopropyl)furo[3,2-b]pyridine-2-carboxylic acid;5-(4-fluorophenyl)-7-prop-1-en-2-ylfuro[3,2-b]pyridine-2-carboxylic acid;methane;methyl 5-(4-fluorophenyl)-7-(1-methylcyclopropyl)furo[3,2-b]pyridine-2-carboxylate;molecular iodine;hydroiodide is sourced from PubChem (CID 159342716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).