methyl N-[1-[2-fluoro-3-(methoxymethyl)phenyl]-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-7-yl]carbamate

C23H20FN5O3S — CID 59011268

IUPACmethyl N-[1-[2-fluoro-3-(methoxymethyl)phenyl]-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-7-yl]carbamate
SMILESCOCc1cccc(-n2nc(-c3cccnc3)c3c2-c2sc(NC(=O)OC)nc2CC3)c1F
InChIInChI=1S/C23H20FN5O3S/c1-31-12-14-5-3-7-17(18(14)24)29-20-15(19(28-29)13-6-4-10-25-11-13)8-9-16-21(20)33-22(26-16)27-23(30)32-2/h3-7,10-11H,8-9,12H2,1-2H3,(H,26,27,30)
InChIKeyIMEKAMFZVIGUPF-UHFFFAOYSA-N
MW465.51 g/mol
LogP4.62
Rot. Bonds5

About methyl N-[1-[2-fluoro-3-(methoxymethyl)phenyl]-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-7-yl]carbamate

methyl N-[1-[2-fluoro-3-(methoxymethyl)phenyl]-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-7-yl]carbamate (PubChem CID 59011268) has the molecular formula C23H20FN5O3S and a molecular weight of 465.51 g/mol. Its IUPAC name is methyl N-[1-[2-fluoro-3-(methoxymethyl)phenyl]-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-7-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[1-[2-fluoro-3-(methoxymethyl)phenyl]-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-7-yl]carbamate
PubChem CID59011268
Molecular FormulaC23H20FN5O3S
Molecular Weight465.51 g/mol
Exact Mass465.13
IUPAC Namemethyl N-[1-[2-fluoro-3-(methoxymethyl)phenyl]-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-7-yl]carbamate
SMILESCOCc1cccc(-n2nc(-c3cccnc3)c3c2-c2sc(NC(=O)OC)nc2CC3)c1F
InChIInChI=1S/C23H20FN5O3S/c1-31-12-14-5-3-7-17(18(14)24)29-20-15(19(28-29)13-6-4-10-25-11-13)8-9-16-21(20)33-22(26-16)27-23(30)32-2/h3-7,10-11H,8-9,12H2,1-2H3,(H,26,27,30)
InChIKeyIMEKAMFZVIGUPF-UHFFFAOYSA-N
XLogP4.62
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.51
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze methyl N-[1-[2-fluoro-3-(methoxymethyl)phenyl]-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-7-yl]carbamate 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 methyl N-[1-[2-fluoro-3-(methoxymethyl)phenyl]-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-7-yl]carbamate?
The IUPAC name of methyl N-[1-[2-fluoro-3-(methoxymethyl)phenyl]-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-7-yl]carbamate (CID 59011268) is methyl N-[1-[2-fluoro-3-(methoxymethyl)phenyl]-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-7-yl]carbamate.
What is the SMILES notation for methyl N-[1-[2-fluoro-3-(methoxymethyl)phenyl]-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-7-yl]carbamate?
The canonical SMILES for methyl N-[1-[2-fluoro-3-(methoxymethyl)phenyl]-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-7-yl]carbamate is COCc1cccc(-n2nc(-c3cccnc3)c3c2-c2sc(NC(=O)OC)nc2CC3)c1F.
What is the InChIKey of methyl N-[1-[2-fluoro-3-(methoxymethyl)phenyl]-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-7-yl]carbamate?
The InChIKey is IMEKAMFZVIGUPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN5O3S/c1-31-12-14-5-3-7-17(18(14)24)29-20-15(19(28-29)13-6-4-10-25-11-13)8-9-16-21(20)33-22(26-16)27-23(30)32-2/h3-7,10-11H,8-9,12H2,1-2H3,(H,26,27,30).
What are the key properties of methyl N-[1-[2-fluoro-3-(methoxymethyl)phenyl]-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-7-yl]carbamate?
methyl N-[1-[2-fluoro-3-(methoxymethyl)phenyl]-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-7-yl]carbamate has a molecular weight of 465.51 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[1-[2-fluoro-3-(methoxymethyl)phenyl]-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-7-yl]carbamate is sourced from PubChem (CID 59011268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).