N-[1-[4-(morpholin-4-ylmethyl)phenyl]-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-7-yl]acetamide

C26H26N6O2S — CID 59255708

IUPACN-[1-[4-(morpholin-4-ylmethyl)phenyl]-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-7-yl]acetamide
SMILESCC(=O)Nc1nc2c(s1)-c1c(c(-c3cccnc3)nn1-c1ccc(CN3CCOCC3)cc1)CC2
InChIInChI=1S/C26H26N6O2S/c1-17(33)28-26-29-22-9-8-21-23(19-3-2-10-27-15-19)30-32(24(21)25(22)35-26)20-6-4-18(5-7-20)16-31-11-13-34-14-12-31/h2-7,10,15H,8-9,11-14,16H2,1H3,(H,28,29,33)
InChIKeyAZUQMCGDDJLZJY-UHFFFAOYSA-N
MW486.60 g/mol
LogP3.95
Rot. Bonds5

About N-[1-[4-(morpholin-4-ylmethyl)phenyl]-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-7-yl]acetamide

N-[1-[4-(morpholin-4-ylmethyl)phenyl]-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-7-yl]acetamide (PubChem CID 59255708) has the molecular formula C26H26N6O2S and a molecular weight of 486.60 g/mol. Its IUPAC name is N-[1-[4-(morpholin-4-ylmethyl)phenyl]-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-7-yl]acetamide.

Molecular Properties

Compound NameN-[1-[4-(morpholin-4-ylmethyl)phenyl]-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-7-yl]acetamide
PubChem CID59255708
Molecular FormulaC26H26N6O2S
Molecular Weight486.60 g/mol
Exact Mass486.18
IUPAC NameN-[1-[4-(morpholin-4-ylmethyl)phenyl]-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-7-yl]acetamide
SMILESCC(=O)Nc1nc2c(s1)-c1c(c(-c3cccnc3)nn1-c1ccc(CN3CCOCC3)cc1)CC2
InChIInChI=1S/C26H26N6O2S/c1-17(33)28-26-29-22-9-8-21-23(19-3-2-10-27-15-19)30-32(24(21)25(22)35-26)20-6-4-18(5-7-20)16-31-11-13-34-14-12-31/h2-7,10,15H,8-9,11-14,16H2,1H3,(H,28,29,33)
InChIKeyAZUQMCGDDJLZJY-UHFFFAOYSA-N
XLogP3.95
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.60
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[1-[4-(morpholin-4-ylmethyl)phenyl]-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-7-yl]acetamide 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-[1-[4-(morpholin-4-ylmethyl)phenyl]-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-7-yl]acetamide?
The IUPAC name of N-[1-[4-(morpholin-4-ylmethyl)phenyl]-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-7-yl]acetamide (CID 59255708) is N-[1-[4-(morpholin-4-ylmethyl)phenyl]-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-7-yl]acetamide.
What is the SMILES notation for N-[1-[4-(morpholin-4-ylmethyl)phenyl]-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-7-yl]acetamide?
The canonical SMILES for N-[1-[4-(morpholin-4-ylmethyl)phenyl]-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-7-yl]acetamide is CC(=O)Nc1nc2c(s1)-c1c(c(-c3cccnc3)nn1-c1ccc(CN3CCOCC3)cc1)CC2.
What is the InChIKey of N-[1-[4-(morpholin-4-ylmethyl)phenyl]-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-7-yl]acetamide?
The InChIKey is AZUQMCGDDJLZJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N6O2S/c1-17(33)28-26-29-22-9-8-21-23(19-3-2-10-27-15-19)30-32(24(21)25(22)35-26)20-6-4-18(5-7-20)16-31-11-13-34-14-12-31/h2-7,10,15H,8-9,11-14,16H2,1H3,(H,28,29,33).
What are the key properties of N-[1-[4-(morpholin-4-ylmethyl)phenyl]-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-7-yl]acetamide?
N-[1-[4-(morpholin-4-ylmethyl)phenyl]-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-7-yl]acetamide has a molecular weight of 486.60 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(morpholin-4-ylmethyl)phenyl]-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-7-yl]acetamide is sourced from PubChem (CID 59255708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).