N-(2-methyl-6-morpholin-4-yl-1,1-dioxo-3H-1,2-benzothiazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C19H20N6O4S — CID 129284385

IUPACN-(2-methyl-6-morpholin-4-yl-1,1-dioxo-3H-1,2-benzothiazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCN1Cc2cc(NC(=O)c3cnn4cccnc34)c(N3CCOCC3)cc2S1(=O)=O
InChIInChI=1S/C19H20N6O4S/c1-23-12-13-9-15(22-19(26)14-11-21-25-4-2-3-20-18(14)25)16(10-17(13)30(23,27)28)24-5-7-29-8-6-24/h2-4,9-11H,5-8,12H2,1H3,(H,22,26)
InChIKeyKWGTXAZLFBSTGA-UHFFFAOYSA-N
MW428.47 g/mol
LogP0.95
Rot. Bonds3

About N-(2-methyl-6-morpholin-4-yl-1,1-dioxo-3H-1,2-benzothiazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-(2-methyl-6-morpholin-4-yl-1,1-dioxo-3H-1,2-benzothiazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 129284385) has the molecular formula C19H20N6O4S and a molecular weight of 428.47 g/mol. Its IUPAC name is N-(2-methyl-6-morpholin-4-yl-1,1-dioxo-3H-1,2-benzothiazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-6-morpholin-4-yl-1,1-dioxo-3H-1,2-benzothiazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID129284385
Molecular FormulaC19H20N6O4S
Molecular Weight428.47 g/mol
Exact Mass428.13
IUPAC NameN-(2-methyl-6-morpholin-4-yl-1,1-dioxo-3H-1,2-benzothiazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCN1Cc2cc(NC(=O)c3cnn4cccnc34)c(N3CCOCC3)cc2S1(=O)=O
InChIInChI=1S/C19H20N6O4S/c1-23-12-13-9-15(22-19(26)14-11-21-25-4-2-3-20-18(14)25)16(10-17(13)30(23,27)28)24-5-7-29-8-6-24/h2-4,9-11H,5-8,12H2,1H3,(H,22,26)
InChIKeyKWGTXAZLFBSTGA-UHFFFAOYSA-N
XLogP0.95
TPSA109.14 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.47
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

Analyze N-(2-methyl-6-morpholin-4-yl-1,1-dioxo-3H-1,2-benzothiazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-6-morpholin-4-yl-1,1-dioxo-3H-1,2-benzothiazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(2-methyl-6-morpholin-4-yl-1,1-dioxo-3H-1,2-benzothiazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 129284385) is N-(2-methyl-6-morpholin-4-yl-1,1-dioxo-3H-1,2-benzothiazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(2-methyl-6-morpholin-4-yl-1,1-dioxo-3H-1,2-benzothiazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(2-methyl-6-morpholin-4-yl-1,1-dioxo-3H-1,2-benzothiazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CN1Cc2cc(NC(=O)c3cnn4cccnc34)c(N3CCOCC3)cc2S1(=O)=O.
What is the InChIKey of N-(2-methyl-6-morpholin-4-yl-1,1-dioxo-3H-1,2-benzothiazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is KWGTXAZLFBSTGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O4S/c1-23-12-13-9-15(22-19(26)14-11-21-25-4-2-3-20-18(14)25)16(10-17(13)30(23,27)28)24-5-7-29-8-6-24/h2-4,9-11H,5-8,12H2,1H3,(H,22,26).
What are the key properties of N-(2-methyl-6-morpholin-4-yl-1,1-dioxo-3H-1,2-benzothiazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-(2-methyl-6-morpholin-4-yl-1,1-dioxo-3H-1,2-benzothiazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 428.47 g/mol, XLogP of 0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-6-morpholin-4-yl-1,1-dioxo-3H-1,2-benzothiazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 129284385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).