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

C25H20F2N6O2S — CID 142795463

IUPACN-[4-[4-(2,4-difluorophenyl)-5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]-2-pyridinyl]cyclopropanesulfonamide
SMILESCn1cc(-c2ccc3c(ncn3-c3ccnc(NS(=O)(=O)C4CC4)c3)c2-c2ccc(F)cc2F)cn1
InChIInChI=1S/C25H20F2N6O2S/c1-32-13-15(12-30-32)19-6-7-22-25(24(19)20-5-2-16(26)10-21(20)27)29-14-33(22)17-8-9-28-23(11-17)31-36(34,35)18-3-4-18/h2,5-14,18H,3-4H2,1H3,(H,28,31)
InChIKeyXGGTUJQYVTXMIG-UHFFFAOYSA-N
MW506.54 g/mol
LogP4.67
Rot. Bonds6

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

N-[4-[4-(2,4-difluorophenyl)-5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]-2-pyridinyl]cyclopropanesulfonamide (PubChem CID 142795463) has the molecular formula C25H20F2N6O2S and a molecular weight of 506.54 g/mol. Its IUPAC name is N-[4-[4-(2,4-difluorophenyl)-5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]-2-pyridinyl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[4-[4-(2,4-difluorophenyl)-5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]-2-pyridinyl]cyclopropanesulfonamide
PubChem CID142795463
Molecular FormulaC25H20F2N6O2S
Molecular Weight506.54 g/mol
Exact Mass506.13
IUPAC NameN-[4-[4-(2,4-difluorophenyl)-5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]-2-pyridinyl]cyclopropanesulfonamide
SMILESCn1cc(-c2ccc3c(ncn3-c3ccnc(NS(=O)(=O)C4CC4)c3)c2-c2ccc(F)cc2F)cn1
InChIInChI=1S/C25H20F2N6O2S/c1-32-13-15(12-30-32)19-6-7-22-25(24(19)20-5-2-16(26)10-21(20)27)29-14-33(22)17-8-9-28-23(11-17)31-36(34,35)18-3-4-18/h2,5-14,18H,3-4H2,1H3,(H,28,31)
InChIKeyXGGTUJQYVTXMIG-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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Related Compounds

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CID 155403297
N-[4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinolin-6-yl]cyclopropanesulfonamide
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CID 171914789
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CID 71972209
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CID 118426614
3-(2,4-difluorophenyl)-5-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]-N-propan-2-ylaniline
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1-[3-(4-fluorophenyl)-5-(sulfinoamino)phenyl]-5-(1-methylpyrazol-4-yl)benzimidazole
CID 151698177
4-(2-fluoro-5-methylphenyl)-1-methylpyrazole
CID 59578603
N-(4-bromo-2-pyridinyl)oxane-4-sulfonamide
CID 102820673
1-(4-fluoro-3-pyridin-3-ylphenyl)-5-methylimidazo[4,5-c]pyridin-4-one
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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(2,4-difluorophenyl)-5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]-2-pyridinyl]cyclopropanesulfonamide?
The IUPAC name of N-[4-[4-(2,4-difluorophenyl)-5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]-2-pyridinyl]cyclopropanesulfonamide (CID 142795463) is N-[4-[4-(2,4-difluorophenyl)-5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]-2-pyridinyl]cyclopropanesulfonamide.
What is the SMILES notation for N-[4-[4-(2,4-difluorophenyl)-5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]-2-pyridinyl]cyclopropanesulfonamide?
The canonical SMILES for N-[4-[4-(2,4-difluorophenyl)-5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]-2-pyridinyl]cyclopropanesulfonamide is Cn1cc(-c2ccc3c(ncn3-c3ccnc(NS(=O)(=O)C4CC4)c3)c2-c2ccc(F)cc2F)cn1.
What is the InChIKey of N-[4-[4-(2,4-difluorophenyl)-5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]-2-pyridinyl]cyclopropanesulfonamide?
The InChIKey is XGGTUJQYVTXMIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F2N6O2S/c1-32-13-15(12-30-32)19-6-7-22-25(24(19)20-5-2-16(26)10-21(20)27)29-14-33(22)17-8-9-28-23(11-17)31-36(34,35)18-3-4-18/h2,5-14,18H,3-4H2,1H3,(H,28,31).
What are the key properties of N-[4-[4-(2,4-difluorophenyl)-5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]-2-pyridinyl]cyclopropanesulfonamide?
N-[4-[4-(2,4-difluorophenyl)-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-[4-(2,4-difluorophenyl)-5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]-2-pyridinyl]cyclopropanesulfonamide is sourced from PubChem (CID 142795463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).