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

C26H24N8O3S — CID 90271959

IUPAC6-cyclopropyl-N-[1-(5-methyl-2-pyridinyl)-3-[4-(methylsulfamoyl)phenyl]pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNS(=O)(=O)c1ccc(-c2cc(NC(=O)c3cnn4cc(C5CC5)cnc34)n(-c3ccc(C)cn3)n2)cc1
InChIInChI=1S/C26H24N8O3S/c1-16-3-10-23(28-12-16)34-24(11-22(32-34)18-6-8-20(9-7-18)38(36,37)27-2)31-26(35)21-14-30-33-15-19(17-4-5-17)13-29-25(21)33/h3,6-15,17,27H,4-5H2,1-2H3,(H,31,35)
InChIKeyPTUVBUXQRCGKLG-UHFFFAOYSA-N
MW528.60 g/mol
LogP3.32
Rot. Bonds7

About 6-cyclopropyl-N-[1-(5-methyl-2-pyridinyl)-3-[4-(methylsulfamoyl)phenyl]pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

6-cyclopropyl-N-[1-(5-methyl-2-pyridinyl)-3-[4-(methylsulfamoyl)phenyl]pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 90271959) has the molecular formula C26H24N8O3S and a molecular weight of 528.60 g/mol. Its IUPAC name is 6-cyclopropyl-N-[1-(5-methyl-2-pyridinyl)-3-[4-(methylsulfamoyl)phenyl]pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-[1-(5-methyl-2-pyridinyl)-3-[4-(methylsulfamoyl)phenyl]pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID90271959
Molecular FormulaC26H24N8O3S
Molecular Weight528.60 g/mol
Exact Mass528.17
IUPAC Name6-cyclopropyl-N-[1-(5-methyl-2-pyridinyl)-3-[4-(methylsulfamoyl)phenyl]pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNS(=O)(=O)c1ccc(-c2cc(NC(=O)c3cnn4cc(C5CC5)cnc34)n(-c3ccc(C)cn3)n2)cc1
InChIInChI=1S/C26H24N8O3S/c1-16-3-10-23(28-12-16)34-24(11-22(32-34)18-6-8-20(9-7-18)38(36,37)27-2)31-26(35)21-14-30-33-15-19(17-4-5-17)13-29-25(21)33/h3,6-15,17,27H,4-5H2,1-2H3,(H,31,35)
InChIKeyPTUVBUXQRCGKLG-UHFFFAOYSA-N
XLogP3.32
TPSA136.17 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500528.60
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-[1-(5-methyl-2-pyridinyl)-3-[4-(methylsulfamoyl)phenyl]pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 6-cyclopropyl-N-[1-(5-methyl-2-pyridinyl)-3-[4-(methylsulfamoyl)phenyl]pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 90271959) is 6-cyclopropyl-N-[1-(5-methyl-2-pyridinyl)-3-[4-(methylsulfamoyl)phenyl]pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N-[1-(5-methyl-2-pyridinyl)-3-[4-(methylsulfamoyl)phenyl]pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-[1-(5-methyl-2-pyridinyl)-3-[4-(methylsulfamoyl)phenyl]pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNS(=O)(=O)c1ccc(-c2cc(NC(=O)c3cnn4cc(C5CC5)cnc34)n(-c3ccc(C)cn3)n2)cc1.
What is the InChIKey of 6-cyclopropyl-N-[1-(5-methyl-2-pyridinyl)-3-[4-(methylsulfamoyl)phenyl]pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is PTUVBUXQRCGKLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N8O3S/c1-16-3-10-23(28-12-16)34-24(11-22(32-34)18-6-8-20(9-7-18)38(36,37)27-2)31-26(35)21-14-30-33-15-19(17-4-5-17)13-29-25(21)33/h3,6-15,17,27H,4-5H2,1-2H3,(H,31,35).
What are the key properties of 6-cyclopropyl-N-[1-(5-methyl-2-pyridinyl)-3-[4-(methylsulfamoyl)phenyl]pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
6-cyclopropyl-N-[1-(5-methyl-2-pyridinyl)-3-[4-(methylsulfamoyl)phenyl]pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 528.60 g/mol, XLogP of 3.32, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-[1-(5-methyl-2-pyridinyl)-3-[4-(methylsulfamoyl)phenyl]pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 90271959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).