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

C25H20F2N6O2S — CID 86281304

IUPACN-[4-(2,4-difluorophenyl)-6-[5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]-2-pyridinyl]cyclopropanesulfonamide
SMILESCn1cc(-c2ccc3c(c2)ncn3-c2cc(-c3ccc(F)cc3F)cc(NS(=O)(=O)C3CC3)n2)cn1
InChIInChI=1S/C25H20F2N6O2S/c1-32-13-17(12-29-32)15-2-7-23-22(8-15)28-14-33(23)25-10-16(20-6-3-18(26)11-21(20)27)9-24(30-25)31-36(34,35)19-4-5-19/h2-3,6-14,19H,4-5H2,1H3,(H,30,31)
InChIKeyOFQISPMWUCLRIV-UHFFFAOYSA-N
MW506.54 g/mol
LogP4.67
Rot. Bonds6

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

N-[4-(2,4-difluorophenyl)-6-[5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]-2-pyridinyl]cyclopropanesulfonamide (PubChem CID 86281304) has the molecular formula C25H20F2N6O2S and a molecular weight of 506.54 g/mol. Its IUPAC name is N-[4-(2,4-difluorophenyl)-6-[5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]-2-pyridinyl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[4-(2,4-difluorophenyl)-6-[5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]-2-pyridinyl]cyclopropanesulfonamide
PubChem CID86281304
Molecular FormulaC25H20F2N6O2S
Molecular Weight506.54 g/mol
Exact Mass506.13
IUPAC NameN-[4-(2,4-difluorophenyl)-6-[5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]-2-pyridinyl]cyclopropanesulfonamide
SMILESCn1cc(-c2ccc3c(c2)ncn3-c2cc(-c3ccc(F)cc3F)cc(NS(=O)(=O)C3CC3)n2)cn1
InChIInChI=1S/C25H20F2N6O2S/c1-32-13-17(12-29-32)15-2-7-23-22(8-15)28-14-33(23)25-10-16(20-6-3-18(26)11-21(20)27)9-24(30-25)31-36(34,35)19-4-5-19/h2-3,6-14,19H,4-5H2,1H3,(H,30,31)
InChIKeyOFQISPMWUCLRIV-UHFFFAOYSA-N
XLogP4.67
TPSA94.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.54
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2,4-difluorophenyl)-6-[5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]-2-pyridinyl]cyclopropanesulfonamide?
The IUPAC name of N-[4-(2,4-difluorophenyl)-6-[5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]-2-pyridinyl]cyclopropanesulfonamide (CID 86281304) is N-[4-(2,4-difluorophenyl)-6-[5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]-2-pyridinyl]cyclopropanesulfonamide.
What is the SMILES notation for N-[4-(2,4-difluorophenyl)-6-[5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]-2-pyridinyl]cyclopropanesulfonamide?
The canonical SMILES for N-[4-(2,4-difluorophenyl)-6-[5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]-2-pyridinyl]cyclopropanesulfonamide is Cn1cc(-c2ccc3c(c2)ncn3-c2cc(-c3ccc(F)cc3F)cc(NS(=O)(=O)C3CC3)n2)cn1.
What is the InChIKey of N-[4-(2,4-difluorophenyl)-6-[5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]-2-pyridinyl]cyclopropanesulfonamide?
The InChIKey is OFQISPMWUCLRIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F2N6O2S/c1-32-13-17(12-29-32)15-2-7-23-22(8-15)28-14-33(23)25-10-16(20-6-3-18(26)11-21(20)27)9-24(30-25)31-36(34,35)19-4-5-19/h2-3,6-14,19H,4-5H2,1H3,(H,30,31).
What are the key properties of N-[4-(2,4-difluorophenyl)-6-[5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]-2-pyridinyl]cyclopropanesulfonamide?
N-[4-(2,4-difluorophenyl)-6-[5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]-2-pyridinyl]cyclopropanesulfonamide has a molecular weight of 506.54 g/mol, XLogP of 4.67, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,4-difluorophenyl)-6-[5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]-2-pyridinyl]cyclopropanesulfonamide is sourced from PubChem (CID 86281304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).