3-(2-amino-3-pyridinyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-1H-pyrazole-5-carboxamide

C19H16N8O3S — CID 118947462

IUPAC3-(2-amino-3-pyridinyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-1H-pyrazole-5-carboxamide
SMILESNc1ncccc1-c1cc(C(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)[nH]n1
InChIInChI=1S/C19H16N8O3S/c20-17-14(3-1-8-21-17)15-11-16(26-25-15)18(28)24-12-4-6-13(7-5-12)31(29,30)27-19-22-9-2-10-23-19/h1-11H,(H2,20,21)(H,24,28)(H,25,26)(H,22,23,27)
InChIKeyJCJNUOTWAFLXHC-UHFFFAOYSA-N
MW436.46 g/mol
LogP1.90
Rot. Bonds6

About 3-(2-amino-3-pyridinyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-1H-pyrazole-5-carboxamide

3-(2-amino-3-pyridinyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-1H-pyrazole-5-carboxamide (PubChem CID 118947462) has the molecular formula C19H16N8O3S and a molecular weight of 436.46 g/mol. Its IUPAC name is 3-(2-amino-3-pyridinyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(2-amino-3-pyridinyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-1H-pyrazole-5-carboxamide
PubChem CID118947462
Molecular FormulaC19H16N8O3S
Molecular Weight436.46 g/mol
Exact Mass436.11
IUPAC Name3-(2-amino-3-pyridinyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-1H-pyrazole-5-carboxamide
SMILESNc1ncccc1-c1cc(C(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)[nH]n1
InChIInChI=1S/C19H16N8O3S/c20-17-14(3-1-8-21-17)15-11-16(26-25-15)18(28)24-12-4-6-13(7-5-12)31(29,30)27-19-22-9-2-10-23-19/h1-11H,(H2,20,21)(H,24,28)(H,25,26)(H,22,23,27)
InChIKeyJCJNUOTWAFLXHC-UHFFFAOYSA-N
XLogP1.90
TPSA168.64 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.46
LogP ≤ 51.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-3-pyridinyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(2-amino-3-pyridinyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-1H-pyrazole-5-carboxamide (CID 118947462) is 3-(2-amino-3-pyridinyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(2-amino-3-pyridinyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(2-amino-3-pyridinyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-1H-pyrazole-5-carboxamide is Nc1ncccc1-c1cc(C(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)[nH]n1.
What is the InChIKey of 3-(2-amino-3-pyridinyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-1H-pyrazole-5-carboxamide?
The InChIKey is JCJNUOTWAFLXHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N8O3S/c20-17-14(3-1-8-21-17)15-11-16(26-25-15)18(28)24-12-4-6-13(7-5-12)31(29,30)27-19-22-9-2-10-23-19/h1-11H,(H2,20,21)(H,24,28)(H,25,26)(H,22,23,27).
What are the key properties of 3-(2-amino-3-pyridinyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-1H-pyrazole-5-carboxamide?
3-(2-amino-3-pyridinyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-1H-pyrazole-5-carboxamide has a molecular weight of 436.46 g/mol, XLogP of 1.90, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-3-pyridinyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 118947462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).