4-(7-acetamido-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-1-yl)-3-ethyl-N,N-dimethylbenzamide

C26H26N6O2S — CID 24860248

IUPAC4-(7-acetamido-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-1-yl)-3-ethyl-N,N-dimethylbenzamide
SMILESCCc1cc(C(=O)N(C)C)ccc1-n1nc(-c2cccnc2)c2c1-c1sc(NC(C)=O)nc1CC2
InChIInChI=1S/C26H26N6O2S/c1-5-16-13-17(25(34)31(3)4)8-11-21(16)32-23-19(22(30-32)18-7-6-12-27-14-18)9-10-20-24(23)35-26(29-20)28-15(2)33/h6-8,11-14H,5,9-10H2,1-4H3,(H,28,29,33)
InChIKeyZVVDZLPVLLWHMK-UHFFFAOYSA-N
MW486.60 g/mol
LogP4.38
Rot. Bonds5

About 4-(7-acetamido-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-1-yl)-3-ethyl-N,N-dimethylbenzamide

4-(7-acetamido-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-1-yl)-3-ethyl-N,N-dimethylbenzamide (PubChem CID 24860248) has the molecular formula C26H26N6O2S and a molecular weight of 486.60 g/mol. Its IUPAC name is 4-(7-acetamido-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-1-yl)-3-ethyl-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-(7-acetamido-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-1-yl)-3-ethyl-N,N-dimethylbenzamide
PubChem CID24860248
Molecular FormulaC26H26N6O2S
Molecular Weight486.60 g/mol
Exact Mass486.18
IUPAC Name4-(7-acetamido-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-1-yl)-3-ethyl-N,N-dimethylbenzamide
SMILESCCc1cc(C(=O)N(C)C)ccc1-n1nc(-c2cccnc2)c2c1-c1sc(NC(C)=O)nc1CC2
InChIInChI=1S/C26H26N6O2S/c1-5-16-13-17(25(34)31(3)4)8-11-21(16)32-23-19(22(30-32)18-7-6-12-27-14-18)9-10-20-24(23)35-26(29-20)28-15(2)33/h6-8,11-14H,5,9-10H2,1-4H3,(H,28,29,33)
InChIKeyZVVDZLPVLLWHMK-UHFFFAOYSA-N
XLogP4.38
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.60
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(7-acetamido-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-1-yl)-3-ethyl-N,N-dimethylbenzamide?
The IUPAC name of 4-(7-acetamido-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-1-yl)-3-ethyl-N,N-dimethylbenzamide (CID 24860248) is 4-(7-acetamido-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-1-yl)-3-ethyl-N,N-dimethylbenzamide.
What is the SMILES notation for 4-(7-acetamido-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-1-yl)-3-ethyl-N,N-dimethylbenzamide?
The canonical SMILES for 4-(7-acetamido-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-1-yl)-3-ethyl-N,N-dimethylbenzamide is CCc1cc(C(=O)N(C)C)ccc1-n1nc(-c2cccnc2)c2c1-c1sc(NC(C)=O)nc1CC2.
What is the InChIKey of 4-(7-acetamido-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-1-yl)-3-ethyl-N,N-dimethylbenzamide?
The InChIKey is ZVVDZLPVLLWHMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N6O2S/c1-5-16-13-17(25(34)31(3)4)8-11-21(16)32-23-19(22(30-32)18-7-6-12-27-14-18)9-10-20-24(23)35-26(29-20)28-15(2)33/h6-8,11-14H,5,9-10H2,1-4H3,(H,28,29,33).
What are the key properties of 4-(7-acetamido-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-1-yl)-3-ethyl-N,N-dimethylbenzamide?
4-(7-acetamido-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-1-yl)-3-ethyl-N,N-dimethylbenzamide has a molecular weight of 486.60 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-acetamido-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-1-yl)-3-ethyl-N,N-dimethylbenzamide is sourced from PubChem (CID 24860248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).