potassium;azanide;5-[2-(2-cyclopropyl-7-fluoro-3H-benzimidazol-5-yl)ethyl]-7-(4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridine;formamide

C27H28F2KN5O2 — CID 169240809

IUPACpotassium;azanide;5-[2-(2-cyclopropyl-7-fluoro-3H-benzimidazol-5-yl)ethyl]-7-(4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridine;formamide
SMILESCC1COc2c1cc(CCc1cc(F)c3nc(C4CC4)[nH]c3c1)nc2-c1ccc(F)cc1.NC=O.[K+].[NH2-]
InChIInChI=1S/C26H23F2N3O.CH3NO.K.H2N/c1-14-13-32-25-20(14)12-19(29-23(25)16-5-7-18(27)8-6-16)9-2-15-10-21(28)24-22(11-15)30-26(31-24)17-3-4-17;2-1-3;;/h5-8,10-12,14,17H,2-4,9,13H2,1H3,(H,30,31);1H,(H2,2,3);;1H2/q;;+1;-1
InChIKeyBPGCSQNXQPVBCL-UHFFFAOYSA-N
MW531.65 g/mol
LogP2.88
Rot. Bonds5

About potassium;azanide;5-[2-(2-cyclopropyl-7-fluoro-3H-benzimidazol-5-yl)ethyl]-7-(4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridine;formamide

potassium;azanide;5-[2-(2-cyclopropyl-7-fluoro-3H-benzimidazol-5-yl)ethyl]-7-(4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridine;formamide (PubChem CID 169240809) has the molecular formula C27H28F2KN5O2 and a molecular weight of 531.65 g/mol. Its IUPAC name is potassium;azanide;5-[2-(2-cyclopropyl-7-fluoro-3H-benzimidazol-5-yl)ethyl]-7-(4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridine;formamide.

Molecular Properties

Compound Namepotassium;azanide;5-[2-(2-cyclopropyl-7-fluoro-3H-benzimidazol-5-yl)ethyl]-7-(4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridine;formamide
PubChem CID169240809
Molecular FormulaC27H28F2KN5O2
Molecular Weight531.65 g/mol
Exact Mass531.18
IUPAC Namepotassium;azanide;5-[2-(2-cyclopropyl-7-fluoro-3H-benzimidazol-5-yl)ethyl]-7-(4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridine;formamide
SMILESCC1COc2c1cc(CCc1cc(F)c3nc(C4CC4)[nH]c3c1)nc2-c1ccc(F)cc1.NC=O.[K+].[NH2-]
InChIInChI=1S/C26H23F2N3O.CH3NO.K.H2N/c1-14-13-32-25-20(14)12-19(29-23(25)16-5-7-18(27)8-6-16)9-2-15-10-21(28)24-22(11-15)30-26(31-24)17-3-4-17;2-1-3;;/h5-8,10-12,14,17H,2-4,9,13H2,1H3,(H,30,31);1H,(H2,2,3);;1H2/q;;+1;-1
InChIKeyBPGCSQNXQPVBCL-UHFFFAOYSA-N
XLogP2.88
TPSA127.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500531.65
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze potassium;azanide;5-[2-(2-cyclopropyl-7-fluoro-3H-benzimidazol-5-yl)ethyl]-7-(4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridine;formamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of potassium;azanide;5-[2-(2-cyclopropyl-7-fluoro-3H-benzimidazol-5-yl)ethyl]-7-(4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridine;formamide?
The IUPAC name of potassium;azanide;5-[2-(2-cyclopropyl-7-fluoro-3H-benzimidazol-5-yl)ethyl]-7-(4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridine;formamide (CID 169240809) is potassium;azanide;5-[2-(2-cyclopropyl-7-fluoro-3H-benzimidazol-5-yl)ethyl]-7-(4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridine;formamide.
What is the SMILES notation for potassium;azanide;5-[2-(2-cyclopropyl-7-fluoro-3H-benzimidazol-5-yl)ethyl]-7-(4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridine;formamide?
The canonical SMILES for potassium;azanide;5-[2-(2-cyclopropyl-7-fluoro-3H-benzimidazol-5-yl)ethyl]-7-(4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridine;formamide is CC1COc2c1cc(CCc1cc(F)c3nc(C4CC4)[nH]c3c1)nc2-c1ccc(F)cc1.NC=O.[K+].[NH2-].
What is the InChIKey of potassium;azanide;5-[2-(2-cyclopropyl-7-fluoro-3H-benzimidazol-5-yl)ethyl]-7-(4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridine;formamide?
The InChIKey is BPGCSQNXQPVBCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F2N3O.CH3NO.K.H2N/c1-14-13-32-25-20(14)12-19(29-23(25)16-5-7-18(27)8-6-16)9-2-15-10-21(28)24-22(11-15)30-26(31-24)17-3-4-17;2-1-3;;/h5-8,10-12,14,17H,2-4,9,13H2,1H3,(H,30,31);1H,(H2,2,3);;1H2/q;;+1;-1.
What are the key properties of potassium;azanide;5-[2-(2-cyclopropyl-7-fluoro-3H-benzimidazol-5-yl)ethyl]-7-(4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridine;formamide?
potassium;azanide;5-[2-(2-cyclopropyl-7-fluoro-3H-benzimidazol-5-yl)ethyl]-7-(4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridine;formamide has a molecular weight of 531.65 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;azanide;5-[2-(2-cyclopropyl-7-fluoro-3H-benzimidazol-5-yl)ethyl]-7-(4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridine;formamide is sourced from PubChem (CID 169240809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).