N-[1-(5-cyclopropyl-2-pyridinyl)-3-[4-(methylsulfamoyl)phenyl]pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C25H22N8O3S — CID 90271949

IUPACN-[1-(5-cyclopropyl-2-pyridinyl)-3-[4-(methylsulfamoyl)phenyl]pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNS(=O)(=O)c1ccc(-c2cc(NC(=O)c3cnn4cccnc34)n(-c3ccc(C4CC4)cn3)n2)cc1
InChIInChI=1S/C25H22N8O3S/c1-26-37(35,36)19-8-5-17(6-9-19)21-13-23(30-25(34)20-15-29-32-12-2-11-27-24(20)32)33(31-21)22-10-7-18(14-28-22)16-3-4-16/h2,5-16,26H,3-4H2,1H3,(H,30,34)
InChIKeyAXJXWBZDVOTDHY-UHFFFAOYSA-N
MW514.57 g/mol
LogP3.01
Rot. Bonds7

About N-[1-(5-cyclopropyl-2-pyridinyl)-3-[4-(methylsulfamoyl)phenyl]pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[1-(5-cyclopropyl-2-pyridinyl)-3-[4-(methylsulfamoyl)phenyl]pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 90271949) has the molecular formula C25H22N8O3S and a molecular weight of 514.57 g/mol. Its IUPAC name is N-[1-(5-cyclopropyl-2-pyridinyl)-3-[4-(methylsulfamoyl)phenyl]pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(5-cyclopropyl-2-pyridinyl)-3-[4-(methylsulfamoyl)phenyl]pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID90271949
Molecular FormulaC25H22N8O3S
Molecular Weight514.57 g/mol
Exact Mass514.15
IUPAC NameN-[1-(5-cyclopropyl-2-pyridinyl)-3-[4-(methylsulfamoyl)phenyl]pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNS(=O)(=O)c1ccc(-c2cc(NC(=O)c3cnn4cccnc34)n(-c3ccc(C4CC4)cn3)n2)cc1
InChIInChI=1S/C25H22N8O3S/c1-26-37(35,36)19-8-5-17(6-9-19)21-13-23(30-25(34)20-15-29-32-12-2-11-27-24(20)32)33(31-21)22-10-7-18(14-28-22)16-3-4-16/h2,5-16,26H,3-4H2,1H3,(H,30,34)
InChIKeyAXJXWBZDVOTDHY-UHFFFAOYSA-N
XLogP3.01
TPSA136.17 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.57
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[1-(5-cyclopropyl-2-pyridinyl)-3-[4-(methylsulfamoyl)phenyl]pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[1-(5-cyclopropyl-2-pyridinyl)-3-[4-(methylsulfamoyl)phenyl]pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 90271949) is N-[1-(5-cyclopropyl-2-pyridinyl)-3-[4-(methylsulfamoyl)phenyl]pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[1-(5-cyclopropyl-2-pyridinyl)-3-[4-(methylsulfamoyl)phenyl]pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[1-(5-cyclopropyl-2-pyridinyl)-3-[4-(methylsulfamoyl)phenyl]pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNS(=O)(=O)c1ccc(-c2cc(NC(=O)c3cnn4cccnc34)n(-c3ccc(C4CC4)cn3)n2)cc1.
What is the InChIKey of N-[1-(5-cyclopropyl-2-pyridinyl)-3-[4-(methylsulfamoyl)phenyl]pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is AXJXWBZDVOTDHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N8O3S/c1-26-37(35,36)19-8-5-17(6-9-19)21-13-23(30-25(34)20-15-29-32-12-2-11-27-24(20)32)33(31-21)22-10-7-18(14-28-22)16-3-4-16/h2,5-16,26H,3-4H2,1H3,(H,30,34).
What are the key properties of N-[1-(5-cyclopropyl-2-pyridinyl)-3-[4-(methylsulfamoyl)phenyl]pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[1-(5-cyclopropyl-2-pyridinyl)-3-[4-(methylsulfamoyl)phenyl]pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 514.57 g/mol, XLogP of 3.01, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-cyclopropyl-2-pyridinyl)-3-[4-(methylsulfamoyl)phenyl]pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 90271949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).