N-[[4-(cyclohexylmethylsulfamoylmethyl)phenyl]methyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide

C28H30FN5O3S — CID 59278271

IUPACN-[[4-(cyclohexylmethylsulfamoylmethyl)phenyl]methyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide
SMILESO=C(NCc1ccc(CS(=O)(=O)NCC2CCCCC2)cc1)c1cncc2c1cnn2-c1ccc(F)cc1
InChIInChI=1S/C28H30FN5O3S/c29-23-10-12-24(13-11-23)34-27-18-30-16-26(25(27)17-32-34)28(35)31-14-21-6-8-22(9-7-21)19-38(36,37)33-15-20-4-2-1-3-5-20/h6-13,16-18,20,33H,1-5,14-15,19H2,(H,31,35)
InChIKeyBQSBNBTZNMZMQE-UHFFFAOYSA-N
MW535.65 g/mol
LogP4.49
Rot. Bonds9

About N-[[4-(cyclohexylmethylsulfamoylmethyl)phenyl]methyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide

N-[[4-(cyclohexylmethylsulfamoylmethyl)phenyl]methyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide (PubChem CID 59278271) has the molecular formula C28H30FN5O3S and a molecular weight of 535.65 g/mol. Its IUPAC name is N-[[4-(cyclohexylmethylsulfamoylmethyl)phenyl]methyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[[4-(cyclohexylmethylsulfamoylmethyl)phenyl]methyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide
PubChem CID59278271
Molecular FormulaC28H30FN5O3S
Molecular Weight535.65 g/mol
Exact Mass535.21
IUPAC NameN-[[4-(cyclohexylmethylsulfamoylmethyl)phenyl]methyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide
SMILESO=C(NCc1ccc(CS(=O)(=O)NCC2CCCCC2)cc1)c1cncc2c1cnn2-c1ccc(F)cc1
InChIInChI=1S/C28H30FN5O3S/c29-23-10-12-24(13-11-23)34-27-18-30-16-26(25(27)17-32-34)28(35)31-14-21-6-8-22(9-7-21)19-38(36,37)33-15-20-4-2-1-3-5-20/h6-13,16-18,20,33H,1-5,14-15,19H2,(H,31,35)
InChIKeyBQSBNBTZNMZMQE-UHFFFAOYSA-N
XLogP4.49
TPSA105.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500535.65
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(cyclohexylmethylsulfamoylmethyl)phenyl]methyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide?
The IUPAC name of N-[[4-(cyclohexylmethylsulfamoylmethyl)phenyl]methyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide (CID 59278271) is N-[[4-(cyclohexylmethylsulfamoylmethyl)phenyl]methyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide.
What is the SMILES notation for N-[[4-(cyclohexylmethylsulfamoylmethyl)phenyl]methyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide?
The canonical SMILES for N-[[4-(cyclohexylmethylsulfamoylmethyl)phenyl]methyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide is O=C(NCc1ccc(CS(=O)(=O)NCC2CCCCC2)cc1)c1cncc2c1cnn2-c1ccc(F)cc1.
What is the InChIKey of N-[[4-(cyclohexylmethylsulfamoylmethyl)phenyl]methyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide?
The InChIKey is BQSBNBTZNMZMQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30FN5O3S/c29-23-10-12-24(13-11-23)34-27-18-30-16-26(25(27)17-32-34)28(35)31-14-21-6-8-22(9-7-21)19-38(36,37)33-15-20-4-2-1-3-5-20/h6-13,16-18,20,33H,1-5,14-15,19H2,(H,31,35).
What are the key properties of N-[[4-(cyclohexylmethylsulfamoylmethyl)phenyl]methyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide?
N-[[4-(cyclohexylmethylsulfamoylmethyl)phenyl]methyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide has a molecular weight of 535.65 g/mol, XLogP of 4.49, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(cyclohexylmethylsulfamoylmethyl)phenyl]methyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide is sourced from PubChem (CID 59278271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).