8-[6-(2,6-dimethyl-4-pyridinyl)-3-methylpyrimidin-3-ium-4-yl]-2-fluoro-7-methyl-[1]benzofuro[2,3-b]pyridine

C24H20FN4O+ — CID 153464361

IUPAC8-[6-(2,6-dimethyl-4-pyridinyl)-3-methylpyrimidin-3-ium-4-yl]-2-fluoro-7-methyl-[1]benzofuro[2,3-b]pyridine
SMILESCc1cc(-c2cc(-c3c(C)ccc4c3oc3nc(F)ccc34)[n+](C)cn2)cc(C)n1
InChIInChI=1S/C24H20FN4O/c1-13-5-6-17-18-7-8-21(25)28-24(18)30-23(17)22(13)20-11-19(26-12-29(20)4)16-9-14(2)27-15(3)10-16/h5-12H,1-4H3/q+1
InChIKeyMNFQWYMVVXRYEW-UHFFFAOYSA-N
MW399.45 g/mol
LogP4.99
Rot. Bonds2

About 8-[6-(2,6-dimethyl-4-pyridinyl)-3-methylpyrimidin-3-ium-4-yl]-2-fluoro-7-methyl-[1]benzofuro[2,3-b]pyridine

8-[6-(2,6-dimethyl-4-pyridinyl)-3-methylpyrimidin-3-ium-4-yl]-2-fluoro-7-methyl-[1]benzofuro[2,3-b]pyridine (PubChem CID 153464361) has the molecular formula C24H20FN4O+ and a molecular weight of 399.45 g/mol. Its IUPAC name is 8-[6-(2,6-dimethyl-4-pyridinyl)-3-methylpyrimidin-3-ium-4-yl]-2-fluoro-7-methyl-[1]benzofuro[2,3-b]pyridine.

Molecular Properties

Compound Name8-[6-(2,6-dimethyl-4-pyridinyl)-3-methylpyrimidin-3-ium-4-yl]-2-fluoro-7-methyl-[1]benzofuro[2,3-b]pyridine
PubChem CID153464361
Molecular FormulaC24H20FN4O+
Molecular Weight399.45 g/mol
Exact Mass399.16
IUPAC Name8-[6-(2,6-dimethyl-4-pyridinyl)-3-methylpyrimidin-3-ium-4-yl]-2-fluoro-7-methyl-[1]benzofuro[2,3-b]pyridine
SMILESCc1cc(-c2cc(-c3c(C)ccc4c3oc3nc(F)ccc34)[n+](C)cn2)cc(C)n1
InChIInChI=1S/C24H20FN4O/c1-13-5-6-17-18-7-8-21(25)28-24(18)30-23(17)22(13)20-11-19(26-12-29(20)4)16-9-14(2)27-15(3)10-16/h5-12H,1-4H3/q+1
InChIKeyMNFQWYMVVXRYEW-UHFFFAOYSA-N
XLogP4.99
TPSA55.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 8-[6-(2,6-dimethyl-4-pyridinyl)-3-methylpyrimidin-3-ium-4-yl]-2-fluoro-7-methyl-[1]benzofuro[2,3-b]pyridine 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

2-[4-(6-dibenzofuran-1-ylpyrimidin-4-yl)piperazin-1-yl]-N-methyl-N-phenylacetamide
CID 49792765
9-Methyl-4-morpholin-4-yl-7-phenylpyrido[3',2':4,5]furo[3,2-d]pyrimidine
CID 7023174
4-(aminomethyl)-N-[4-[(6-dibenzofuran-4-ylpyrimidin-4-yl)amino]phenyl]-2-fluorobenzamide
CID 66962960
5-[5-[cyclopropyl(pyrimidin-2-yl)carbamoyl]-2-methylphenyl]-2-(4-fluorophenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide
CID 67217879
4-(1-benzofuran-6-yl)-8-fluoro-2-methyl-7-pyrimidin-4-yl-3,4-dihydro-1H-isoquinoline
CID 68997783
4-(1-benzofuran-2-yl)-8-fluoro-2-methyl-7-pyrimidin-4-yl-3,4-dihydro-1H-isoquinoline
CID 68999057
8-[4-(4-Fluorophenyl)-2-pyridinyl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine
CID 90138339
8-[4-(3-Fluorophenyl)-2-pyridinyl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine
CID 90138341
8-[3-(2,4-Difluorophenyl)-2-pyridinyl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine
CID 90138355
8-[5-(3,4-Difluorophenyl)-2-pyridinyl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine
CID 90138356
8-[5-(2,4-Difluorophenyl)-2-pyridinyl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine
CID 90138357
8-[3-(3,4-Difluorophenyl)-2-pyridinyl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine
CID 90138359

Frequently Asked Questions

What is the IUPAC name of 8-[6-(2,6-dimethyl-4-pyridinyl)-3-methylpyrimidin-3-ium-4-yl]-2-fluoro-7-methyl-[1]benzofuro[2,3-b]pyridine?
The IUPAC name of 8-[6-(2,6-dimethyl-4-pyridinyl)-3-methylpyrimidin-3-ium-4-yl]-2-fluoro-7-methyl-[1]benzofuro[2,3-b]pyridine (CID 153464361) is 8-[6-(2,6-dimethyl-4-pyridinyl)-3-methylpyrimidin-3-ium-4-yl]-2-fluoro-7-methyl-[1]benzofuro[2,3-b]pyridine.
What is the SMILES notation for 8-[6-(2,6-dimethyl-4-pyridinyl)-3-methylpyrimidin-3-ium-4-yl]-2-fluoro-7-methyl-[1]benzofuro[2,3-b]pyridine?
The canonical SMILES for 8-[6-(2,6-dimethyl-4-pyridinyl)-3-methylpyrimidin-3-ium-4-yl]-2-fluoro-7-methyl-[1]benzofuro[2,3-b]pyridine is Cc1cc(-c2cc(-c3c(C)ccc4c3oc3nc(F)ccc34)[n+](C)cn2)cc(C)n1.
What is the InChIKey of 8-[6-(2,6-dimethyl-4-pyridinyl)-3-methylpyrimidin-3-ium-4-yl]-2-fluoro-7-methyl-[1]benzofuro[2,3-b]pyridine?
The InChIKey is MNFQWYMVVXRYEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN4O/c1-13-5-6-17-18-7-8-21(25)28-24(18)30-23(17)22(13)20-11-19(26-12-29(20)4)16-9-14(2)27-15(3)10-16/h5-12H,1-4H3/q+1.
What are the key properties of 8-[6-(2,6-dimethyl-4-pyridinyl)-3-methylpyrimidin-3-ium-4-yl]-2-fluoro-7-methyl-[1]benzofuro[2,3-b]pyridine?
8-[6-(2,6-dimethyl-4-pyridinyl)-3-methylpyrimidin-3-ium-4-yl]-2-fluoro-7-methyl-[1]benzofuro[2,3-b]pyridine has a molecular weight of 399.45 g/mol, XLogP of 4.99, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[6-(2,6-dimethyl-4-pyridinyl)-3-methylpyrimidin-3-ium-4-yl]-2-fluoro-7-methyl-[1]benzofuro[2,3-b]pyridine is sourced from PubChem (CID 153464361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).