N-[4-(2-fluorophenyl)-6-[5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]-2-pyridinyl]propane-2-sulfonamide

C25H23FN6O2S — CID 86281305

IUPACN-[4-(2-fluorophenyl)-6-[5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]-2-pyridinyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)Nc1cc(-c2ccccc2F)cc(-n2cnc3cc(-c4cnn(C)c4)ccc32)n1
InChIInChI=1S/C25H23FN6O2S/c1-16(2)35(33,34)30-24-11-18(20-6-4-5-7-21(20)26)12-25(29-24)32-15-27-22-10-17(8-9-23(22)32)19-13-28-31(3)14-19/h4-16H,1-3H3,(H,29,30)
InChIKeyOLGMCCQASCPZSM-UHFFFAOYSA-N
MW490.56 g/mol
LogP4.78
Rot. Bonds6

About N-[4-(2-fluorophenyl)-6-[5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]-2-pyridinyl]propane-2-sulfonamide

N-[4-(2-fluorophenyl)-6-[5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]-2-pyridinyl]propane-2-sulfonamide (PubChem CID 86281305) has the molecular formula C25H23FN6O2S and a molecular weight of 490.56 g/mol. Its IUPAC name is N-[4-(2-fluorophenyl)-6-[5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]-2-pyridinyl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[4-(2-fluorophenyl)-6-[5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]-2-pyridinyl]propane-2-sulfonamide
PubChem CID86281305
Molecular FormulaC25H23FN6O2S
Molecular Weight490.56 g/mol
Exact Mass490.16
IUPAC NameN-[4-(2-fluorophenyl)-6-[5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]-2-pyridinyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)Nc1cc(-c2ccccc2F)cc(-n2cnc3cc(-c4cnn(C)c4)ccc32)n1
InChIInChI=1S/C25H23FN6O2S/c1-16(2)35(33,34)30-24-11-18(20-6-4-5-7-21(20)26)12-25(29-24)32-15-27-22-10-17(8-9-23(22)32)19-13-28-31(3)14-19/h4-16H,1-3H3,(H,29,30)
InChIKeyOLGMCCQASCPZSM-UHFFFAOYSA-N
XLogP4.78
TPSA94.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.56
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-fluorophenyl)-6-[5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]-2-pyridinyl]propane-2-sulfonamide?
The IUPAC name of N-[4-(2-fluorophenyl)-6-[5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]-2-pyridinyl]propane-2-sulfonamide (CID 86281305) is N-[4-(2-fluorophenyl)-6-[5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]-2-pyridinyl]propane-2-sulfonamide.
What is the SMILES notation for N-[4-(2-fluorophenyl)-6-[5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]-2-pyridinyl]propane-2-sulfonamide?
The canonical SMILES for N-[4-(2-fluorophenyl)-6-[5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]-2-pyridinyl]propane-2-sulfonamide is CC(C)S(=O)(=O)Nc1cc(-c2ccccc2F)cc(-n2cnc3cc(-c4cnn(C)c4)ccc32)n1.
What is the InChIKey of N-[4-(2-fluorophenyl)-6-[5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]-2-pyridinyl]propane-2-sulfonamide?
The InChIKey is OLGMCCQASCPZSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN6O2S/c1-16(2)35(33,34)30-24-11-18(20-6-4-5-7-21(20)26)12-25(29-24)32-15-27-22-10-17(8-9-23(22)32)19-13-28-31(3)14-19/h4-16H,1-3H3,(H,29,30).
What are the key properties of N-[4-(2-fluorophenyl)-6-[5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]-2-pyridinyl]propane-2-sulfonamide?
N-[4-(2-fluorophenyl)-6-[5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]-2-pyridinyl]propane-2-sulfonamide has a molecular weight of 490.56 g/mol, XLogP of 4.78, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-fluorophenyl)-6-[5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]-2-pyridinyl]propane-2-sulfonamide is sourced from PubChem (CID 86281305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).