N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C23H19N7O5S2 — CID 19416690

IUPACN-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1cc(NS(=O)(=O)c2ccc(NC(=O)c3cnn4c(-c5cccs5)ccnc34)cc2)nc(OC)n1
InChIInChI=1S/C23H19N7O5S2/c1-34-20-12-19(27-23(28-20)35-2)29-37(32,33)15-7-5-14(6-8-15)26-22(31)16-13-25-30-17(9-10-24-21(16)30)18-4-3-11-36-18/h3-13H,1-2H3,(H,26,31)(H,27,28,29)
InChIKeyZTQOSPPHANTACZ-UHFFFAOYSA-N
MW537.58 g/mol
LogP3.32
Rot. Bonds8

About N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 19416690) has the molecular formula C23H19N7O5S2 and a molecular weight of 537.58 g/mol. Its IUPAC name is N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID19416690
Molecular FormulaC23H19N7O5S2
Molecular Weight537.58 g/mol
Exact Mass537.09
IUPAC NameN-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1cc(NS(=O)(=O)c2ccc(NC(=O)c3cnn4c(-c5cccs5)ccnc34)cc2)nc(OC)n1
InChIInChI=1S/C23H19N7O5S2/c1-34-20-12-19(27-23(28-20)35-2)29-37(32,33)15-7-5-14(6-8-15)26-22(31)16-13-25-30-17(9-10-24-21(16)30)18-4-3-11-36-18/h3-13H,1-2H3,(H,26,31)(H,27,28,29)
InChIKeyZTQOSPPHANTACZ-UHFFFAOYSA-N
XLogP3.32
TPSA149.70 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.58
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

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Related Compounds

N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-1-ethyl-5-methylpyrazole-4-carboxamide
CID 19280722
N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-3-thiophen-2-ylprop-2-enamide
CID 3385945
N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]benzamide
CID 1076758
N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-3-methoxynaphthalene-2-carboxamide
CID 25047643
N-[3-(4-methoxyphenoxy)-5-nitrophenyl]-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19416737
1-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-3-pyridin-4-ylthiourea
CID 134129947
2,6-dichloro-N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]benzamide
CID 1322982
5-bromo-N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-2-methoxybenzamide
CID 17094227
N-[3-(2-methoxyphenoxy)-5-nitrophenyl]-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19416796
N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-3-methoxybenzamide
CID 3643787
N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-4-ethoxybenzamide
CID 1381291
3-bromo-N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]benzamide
CID 3635765

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 19416690) is N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide is COc1cc(NS(=O)(=O)c2ccc(NC(=O)c3cnn4c(-c5cccs5)ccnc34)cc2)nc(OC)n1.
What is the InChIKey of N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is ZTQOSPPHANTACZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N7O5S2/c1-34-20-12-19(27-23(28-20)35-2)29-37(32,33)15-7-5-14(6-8-15)26-22(31)16-13-25-30-17(9-10-24-21(16)30)18-4-3-11-36-18/h3-13H,1-2H3,(H,26,31)(H,27,28,29).
What are the key properties of N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 537.58 g/mol, XLogP of 3.32, 8 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 19416690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).