N-(6-fluoro-4-methoxy-7-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-1-methylpyrazole-4-carboxamide

C16H17FN6O3S — CID 146653031

IUPACN-(6-fluoro-4-methoxy-7-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-1-methylpyrazole-4-carboxamide
SMILESCOc1nc(F)c(N2CCOCC2)c2sc(NC(=O)c3cnn(C)c3)nc12
InChIInChI=1S/C16H17FN6O3S/c1-22-8-9(7-18-22)14(24)21-16-19-10-12(27-16)11(13(17)20-15(10)25-2)23-3-5-26-6-4-23/h7-8H,3-6H2,1-2H3,(H,19,21,24)
InChIKeyULFIOHXMNQUCLP-UHFFFAOYSA-N
MW392.42 g/mol
LogP1.66
Rot. Bonds4

About N-(6-fluoro-4-methoxy-7-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-1-methylpyrazole-4-carboxamide

N-(6-fluoro-4-methoxy-7-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-1-methylpyrazole-4-carboxamide (PubChem CID 146653031) has the molecular formula C16H17FN6O3S and a molecular weight of 392.42 g/mol. Its IUPAC name is N-(6-fluoro-4-methoxy-7-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(6-fluoro-4-methoxy-7-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-1-methylpyrazole-4-carboxamide
PubChem CID146653031
Molecular FormulaC16H17FN6O3S
Molecular Weight392.42 g/mol
Exact Mass392.11
IUPAC NameN-(6-fluoro-4-methoxy-7-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-1-methylpyrazole-4-carboxamide
SMILESCOc1nc(F)c(N2CCOCC2)c2sc(NC(=O)c3cnn(C)c3)nc12
InChIInChI=1S/C16H17FN6O3S/c1-22-8-9(7-18-22)14(24)21-16-19-10-12(27-16)11(13(17)20-15(10)25-2)23-3-5-26-6-4-23/h7-8H,3-6H2,1-2H3,(H,19,21,24)
InChIKeyULFIOHXMNQUCLP-UHFFFAOYSA-N
XLogP1.66
TPSA94.40 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.42
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze N-(6-fluoro-4-methoxy-7-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-1-methylpyrazole-4-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-(6-fluoro-4-methoxy-7-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-(6-fluoro-4-methoxy-7-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-1-methylpyrazole-4-carboxamide (CID 146653031) is N-(6-fluoro-4-methoxy-7-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-(6-fluoro-4-methoxy-7-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-(6-fluoro-4-methoxy-7-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-1-methylpyrazole-4-carboxamide is COc1nc(F)c(N2CCOCC2)c2sc(NC(=O)c3cnn(C)c3)nc12.
What is the InChIKey of N-(6-fluoro-4-methoxy-7-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-1-methylpyrazole-4-carboxamide?
The InChIKey is ULFIOHXMNQUCLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN6O3S/c1-22-8-9(7-18-22)14(24)21-16-19-10-12(27-16)11(13(17)20-15(10)25-2)23-3-5-26-6-4-23/h7-8H,3-6H2,1-2H3,(H,19,21,24).
What are the key properties of N-(6-fluoro-4-methoxy-7-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-1-methylpyrazole-4-carboxamide?
N-(6-fluoro-4-methoxy-7-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-1-methylpyrazole-4-carboxamide has a molecular weight of 392.42 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-fluoro-4-methoxy-7-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 146653031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).