N-[4-(3-fluoro-2-pyridinyl)-6-[5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]-2-pyridinyl]cyclopropanesulfonamide

C24H20FN7O2S — CID 86281306

IUPACN-[4-(3-fluoro-2-pyridinyl)-6-[5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]-2-pyridinyl]cyclopropanesulfonamide
SMILESCn1cc(-c2ccc3c(c2)ncn3-c2cc(-c3ncccc3F)cc(NS(=O)(=O)C3CC3)n2)cn1
InChIInChI=1S/C24H20FN7O2S/c1-31-13-17(12-28-31)15-4-7-21-20(9-15)27-14-32(21)23-11-16(24-19(25)3-2-8-26-24)10-22(29-23)30-35(33,34)18-5-6-18/h2-4,7-14,18H,5-6H2,1H3,(H,29,30)
InChIKeySBVNLWXGUPXXDS-UHFFFAOYSA-N
MW489.54 g/mol
LogP3.93
Rot. Bonds6

About N-[4-(3-fluoro-2-pyridinyl)-6-[5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]-2-pyridinyl]cyclopropanesulfonamide

N-[4-(3-fluoro-2-pyridinyl)-6-[5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]-2-pyridinyl]cyclopropanesulfonamide (PubChem CID 86281306) has the molecular formula C24H20FN7O2S and a molecular weight of 489.54 g/mol. Its IUPAC name is N-[4-(3-fluoro-2-pyridinyl)-6-[5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]-2-pyridinyl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[4-(3-fluoro-2-pyridinyl)-6-[5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]-2-pyridinyl]cyclopropanesulfonamide
PubChem CID86281306
Molecular FormulaC24H20FN7O2S
Molecular Weight489.54 g/mol
Exact Mass489.14
IUPAC NameN-[4-(3-fluoro-2-pyridinyl)-6-[5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]-2-pyridinyl]cyclopropanesulfonamide
SMILESCn1cc(-c2ccc3c(c2)ncn3-c2cc(-c3ncccc3F)cc(NS(=O)(=O)C3CC3)n2)cn1
InChIInChI=1S/C24H20FN7O2S/c1-31-13-17(12-28-31)15-4-7-21-20(9-15)27-14-32(21)23-11-16(24-19(25)3-2-8-26-24)10-22(29-23)30-35(33,34)18-5-6-18/h2-4,7-14,18H,5-6H2,1H3,(H,29,30)
InChIKeySBVNLWXGUPXXDS-UHFFFAOYSA-N
XLogP3.93
TPSA107.59 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.54
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3-fluoro-2-pyridinyl)-6-[5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]-2-pyridinyl]cyclopropanesulfonamide?
The IUPAC name of N-[4-(3-fluoro-2-pyridinyl)-6-[5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]-2-pyridinyl]cyclopropanesulfonamide (CID 86281306) is N-[4-(3-fluoro-2-pyridinyl)-6-[5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]-2-pyridinyl]cyclopropanesulfonamide.
What is the SMILES notation for N-[4-(3-fluoro-2-pyridinyl)-6-[5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]-2-pyridinyl]cyclopropanesulfonamide?
The canonical SMILES for N-[4-(3-fluoro-2-pyridinyl)-6-[5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]-2-pyridinyl]cyclopropanesulfonamide is Cn1cc(-c2ccc3c(c2)ncn3-c2cc(-c3ncccc3F)cc(NS(=O)(=O)C3CC3)n2)cn1.
What is the InChIKey of N-[4-(3-fluoro-2-pyridinyl)-6-[5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]-2-pyridinyl]cyclopropanesulfonamide?
The InChIKey is SBVNLWXGUPXXDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN7O2S/c1-31-13-17(12-28-31)15-4-7-21-20(9-15)27-14-32(21)23-11-16(24-19(25)3-2-8-26-24)10-22(29-23)30-35(33,34)18-5-6-18/h2-4,7-14,18H,5-6H2,1H3,(H,29,30).
What are the key properties of N-[4-(3-fluoro-2-pyridinyl)-6-[5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]-2-pyridinyl]cyclopropanesulfonamide?
N-[4-(3-fluoro-2-pyridinyl)-6-[5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]-2-pyridinyl]cyclopropanesulfonamide has a molecular weight of 489.54 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-fluoro-2-pyridinyl)-6-[5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]-2-pyridinyl]cyclopropanesulfonamide is sourced from PubChem (CID 86281306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).