4-(difluoromethyl)-4-hydroxy-N-[4-methoxy-7-(1-methylpyrazol-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]piperidine-1-carboxamide

C18H20F2N6O3S — CID 146652473

IUPAC4-(difluoromethyl)-4-hydroxy-N-[4-methoxy-7-(1-methylpyrazol-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]piperidine-1-carboxamide
SMILESCOc1ncc(-c2cnn(C)c2)c2sc(NC(=O)N3CCC(O)(C(F)F)CC3)nc12
InChIInChI=1S/C18H20F2N6O3S/c1-25-9-10(7-22-25)11-8-21-14(29-2)12-13(11)30-16(23-12)24-17(27)26-5-3-18(28,4-6-26)15(19)20/h7-9,15,28H,3-6H2,1-2H3,(H,23,24,27)
InChIKeyARJACSFXMPJIND-UHFFFAOYSA-N
MW438.46 g/mol
LogP2.72
Rot. Bonds4

About 4-(difluoromethyl)-4-hydroxy-N-[4-methoxy-7-(1-methylpyrazol-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]piperidine-1-carboxamide

4-(difluoromethyl)-4-hydroxy-N-[4-methoxy-7-(1-methylpyrazol-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]piperidine-1-carboxamide (PubChem CID 146652473) has the molecular formula C18H20F2N6O3S and a molecular weight of 438.46 g/mol. Its IUPAC name is 4-(difluoromethyl)-4-hydroxy-N-[4-methoxy-7-(1-methylpyrazol-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(difluoromethyl)-4-hydroxy-N-[4-methoxy-7-(1-methylpyrazol-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]piperidine-1-carboxamide
PubChem CID146652473
Molecular FormulaC18H20F2N6O3S
Molecular Weight438.46 g/mol
Exact Mass438.13
IUPAC Name4-(difluoromethyl)-4-hydroxy-N-[4-methoxy-7-(1-methylpyrazol-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]piperidine-1-carboxamide
SMILESCOc1ncc(-c2cnn(C)c2)c2sc(NC(=O)N3CCC(O)(C(F)F)CC3)nc12
InChIInChI=1S/C18H20F2N6O3S/c1-25-9-10(7-22-25)11-8-21-14(29-2)12-13(11)30-16(23-12)24-17(27)26-5-3-18(28,4-6-26)15(19)20/h7-9,15,28H,3-6H2,1-2H3,(H,23,24,27)
InChIKeyARJACSFXMPJIND-UHFFFAOYSA-N
XLogP2.72
TPSA105.40 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.46
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

1-(2-methoxyethyl)-N-(4-methoxy-7-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrazole-4-carboxamide
CID 137474685
4-hydroxy-N-(4-methoxy-7-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-4-methylpiperidine-1-carboxamide
CID 146652574
1-[7-(1-Methoxy-2-methylpropyl)-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]-3-[2-methoxy-6-(triazol-2-yl)-5-(trifluoromethyl)pyridin-3-yl]urea
CID 134209192
1-[7-[Cyclopropyl(methoxy)methyl]-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]-3-[2-methoxy-6-(triazol-2-yl)-5-(trifluoromethyl)pyridin-3-yl]urea
CID 134209532
1-[7-(1-Methoxyethyl)-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]-3-[2-methoxy-6-(triazol-2-yl)-5-(trifluoromethyl)pyridin-3-yl]urea
CID 134209603
1-[2-Methoxy-6-(triazol-2-yl)-5-(trifluoromethyl)pyridin-3-yl]-3-[2-methyl-7-(1-methylcyclopropyl)-[1,3]thiazolo[5,4-b]pyridin-6-yl]urea
CID 134213526
N-[4-(difluoromethoxy)-7-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl]-4-hydroxy-4-methylpiperidine-1-carboxamide
CID 142524367
N-(6-fluoro-4-methoxy-7-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-1-(2-methoxyethyl)pyrazole-4-carboxamide
CID 142524384
(3S)-3-fluoro-N-[4-methoxy-7-(oxan-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]pyrrolidine-1-carboxamide
CID 142524407
N-[4-methoxy-7-(1-methylpyrazol-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]-4-(trifluoromethoxy)benzamide
CID 142524411
4-(difluoromethyl)-4-hydroxy-N-(4-methoxy-7-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)piperidine-1-carboxamide
CID 142524459
4-(fluoromethyl)-4-hydroxy-N-(4-methoxy-7-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)piperidine-1-carboxamide
CID 142524472

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-4-hydroxy-N-[4-methoxy-7-(1-methylpyrazol-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]piperidine-1-carboxamide?
The IUPAC name of 4-(difluoromethyl)-4-hydroxy-N-[4-methoxy-7-(1-methylpyrazol-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]piperidine-1-carboxamide (CID 146652473) is 4-(difluoromethyl)-4-hydroxy-N-[4-methoxy-7-(1-methylpyrazol-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]piperidine-1-carboxamide.
What is the SMILES notation for 4-(difluoromethyl)-4-hydroxy-N-[4-methoxy-7-(1-methylpyrazol-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]piperidine-1-carboxamide?
The canonical SMILES for 4-(difluoromethyl)-4-hydroxy-N-[4-methoxy-7-(1-methylpyrazol-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]piperidine-1-carboxamide is COc1ncc(-c2cnn(C)c2)c2sc(NC(=O)N3CCC(O)(C(F)F)CC3)nc12.
What is the InChIKey of 4-(difluoromethyl)-4-hydroxy-N-[4-methoxy-7-(1-methylpyrazol-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]piperidine-1-carboxamide?
The InChIKey is ARJACSFXMPJIND-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N6O3S/c1-25-9-10(7-22-25)11-8-21-14(29-2)12-13(11)30-16(23-12)24-17(27)26-5-3-18(28,4-6-26)15(19)20/h7-9,15,28H,3-6H2,1-2H3,(H,23,24,27).
What are the key properties of 4-(difluoromethyl)-4-hydroxy-N-[4-methoxy-7-(1-methylpyrazol-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]piperidine-1-carboxamide?
4-(difluoromethyl)-4-hydroxy-N-[4-methoxy-7-(1-methylpyrazol-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]piperidine-1-carboxamide has a molecular weight of 438.46 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-4-hydroxy-N-[4-methoxy-7-(1-methylpyrazol-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]piperidine-1-carboxamide is sourced from PubChem (CID 146652473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).