N-[1-[2-fluoro-4-[(Z)-methoxyiminomethyl]phenyl]-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-7-yl]acetamide

C23H19FN6O2S — CID 59011292

IUPACN-[1-[2-fluoro-4-[(Z)-methoxyiminomethyl]phenyl]-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-7-yl]acetamide
SMILESCO/N=C\c1ccc(-n2nc(-c3cccnc3)c3c2-c2sc(NC(C)=O)nc2CC3)c(F)c1
InChIInChI=1S/C23H19FN6O2S/c1-13(31)27-23-28-18-7-6-16-20(15-4-3-9-25-12-15)29-30(21(16)22(18)33-23)19-8-5-14(10-17(19)24)11-26-32-2/h3-5,8-12H,6-7H2,1-2H3,(H,27,28,31)/b26-11-
InChIKeyLJQNQBAPHMNWFF-RAWMCFOBSA-N
MW462.51 g/mol
LogP4.23
Rot. Bonds5

About N-[1-[2-fluoro-4-[(Z)-methoxyiminomethyl]phenyl]-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-7-yl]acetamide

N-[1-[2-fluoro-4-[(Z)-methoxyiminomethyl]phenyl]-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-7-yl]acetamide (PubChem CID 59011292) has the molecular formula C23H19FN6O2S and a molecular weight of 462.51 g/mol. Its IUPAC name is N-[1-[2-fluoro-4-[(Z)-methoxyiminomethyl]phenyl]-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-7-yl]acetamide.

Molecular Properties

Compound NameN-[1-[2-fluoro-4-[(Z)-methoxyiminomethyl]phenyl]-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-7-yl]acetamide
PubChem CID59011292
Molecular FormulaC23H19FN6O2S
Molecular Weight462.51 g/mol
Exact Mass462.13
IUPAC NameN-[1-[2-fluoro-4-[(Z)-methoxyiminomethyl]phenyl]-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-7-yl]acetamide
SMILESCO/N=C\c1ccc(-n2nc(-c3cccnc3)c3c2-c2sc(NC(C)=O)nc2CC3)c(F)c1
InChIInChI=1S/C23H19FN6O2S/c1-13(31)27-23-28-18-7-6-16-20(15-4-3-9-25-12-15)29-30(21(16)22(18)33-23)19-8-5-14(10-17(19)24)11-26-32-2/h3-5,8-12H,6-7H2,1-2H3,(H,27,28,31)/b26-11-
InChIKeyLJQNQBAPHMNWFF-RAWMCFOBSA-N
XLogP4.23
TPSA94.29 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.51
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[1-[2-fluoro-4-[(Z)-methoxyiminomethyl]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

Related Compounds

methyl N-[1-[2-fluoro-4-(methyliminomethyl)phenyl]-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-7-yl]carbamate
CID 143550926
methyl N-[1-[4-[(E)-ethoxyiminomethyl]-2-fluorophenyl]-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-7-yl]carbamate
CID 59011370
methyl 3-fluoro-4-[7-(methoxycarbonylamino)-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-1-yl]benzoate
CID 59011335
N-[4-(7-acetamido-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-1-yl)-3-fluorophenyl]-2-pyrrolidin-1-ylacetamide
CID 59011260
methyl N-[1-[2-fluoro-4-(methoxymethoxymethyl)phenyl]-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-7-yl]carbamate
CID 163870867
2,5-difluoro-4-[7-(methoxycarbonylamino)-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-1-yl]benzoic acid
CID 87332717
4-(7-acetamido-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-1-yl)-3-bromo-N-methoxybenzamide
CID 59011410
4-(7-acetamido-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-1-yl)-3-chloro-N-methylbenzamide
CID 59255668
N-[1-(4-chlorophenyl)-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-7-yl]acetamide
CID 58639706
N-[1-[2-bromo-5-(methoxymethyl)phenyl]-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-7-yl]acetamide
CID 24858383
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
N-[1-[2,5-difluoro-4-(4-propan-2-ylpiperazine-1-carbonyl)phenyl]-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-7-yl]acetamide
CID 59011377

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-fluoro-4-[(Z)-methoxyiminomethyl]phenyl]-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-7-yl]acetamide?
The IUPAC name of N-[1-[2-fluoro-4-[(Z)-methoxyiminomethyl]phenyl]-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-7-yl]acetamide (CID 59011292) is N-[1-[2-fluoro-4-[(Z)-methoxyiminomethyl]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-[2-fluoro-4-[(Z)-methoxyiminomethyl]phenyl]-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-7-yl]acetamide?
The canonical SMILES for N-[1-[2-fluoro-4-[(Z)-methoxyiminomethyl]phenyl]-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-7-yl]acetamide is CO/N=C\c1ccc(-n2nc(-c3cccnc3)c3c2-c2sc(NC(C)=O)nc2CC3)c(F)c1.
What is the InChIKey of N-[1-[2-fluoro-4-[(Z)-methoxyiminomethyl]phenyl]-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-7-yl]acetamide?
The InChIKey is LJQNQBAPHMNWFF-RAWMCFOBSA-N. The full InChI is InChI=1S/C23H19FN6O2S/c1-13(31)27-23-28-18-7-6-16-20(15-4-3-9-25-12-15)29-30(21(16)22(18)33-23)19-8-5-14(10-17(19)24)11-26-32-2/h3-5,8-12H,6-7H2,1-2H3,(H,27,28,31)/b26-11-.
What are the key properties of N-[1-[2-fluoro-4-[(Z)-methoxyiminomethyl]phenyl]-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-7-yl]acetamide?
N-[1-[2-fluoro-4-[(Z)-methoxyiminomethyl]phenyl]-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-7-yl]acetamide has a molecular weight of 462.51 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-fluoro-4-[(Z)-methoxyiminomethyl]phenyl]-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-7-yl]acetamide is sourced from PubChem (CID 59011292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).