1-[1-(4-fluorophenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide

C20H24FN5O2S — CID 53123204

IUPAC1-[1-(4-fluorophenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide
SMILESCOCCNC(=O)C1CCCN(c2nc3c(s2)c(C)nn3-c2ccc(F)cc2)C1
InChIInChI=1S/C20H24FN5O2S/c1-13-17-18(26(24-13)16-7-5-15(21)6-8-16)23-20(29-17)25-10-3-4-14(12-25)19(27)22-9-11-28-2/h5-8,14H,3-4,9-12H2,1-2H3,(H,22,27)
InChIKeyHYLGKIAKSOZGTO-UHFFFAOYSA-N
MW417.51 g/mol
LogP2.91
Rot. Bonds6

About 1-[1-(4-fluorophenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide

1-[1-(4-fluorophenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide (PubChem CID 53123204) has the molecular formula C20H24FN5O2S and a molecular weight of 417.51 g/mol. Its IUPAC name is 1-[1-(4-fluorophenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[1-(4-fluorophenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide
PubChem CID53123204
Molecular FormulaC20H24FN5O2S
Molecular Weight417.51 g/mol
Exact Mass417.16
IUPAC Name1-[1-(4-fluorophenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide
SMILESCOCCNC(=O)C1CCCN(c2nc3c(s2)c(C)nn3-c2ccc(F)cc2)C1
InChIInChI=1S/C20H24FN5O2S/c1-13-17-18(26(24-13)16-7-5-15(21)6-8-16)23-20(29-17)25-10-3-4-14(12-25)19(27)22-9-11-28-2/h5-8,14H,3-4,9-12H2,1-2H3,(H,22,27)
InChIKeyHYLGKIAKSOZGTO-UHFFFAOYSA-N
XLogP2.91
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[1-(4-fluorophenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]-N-[(4-methoxyphenyl)methyl]piperidine-3-carboxamide
CID 53123195
(3R)-N-cyclopentyl-1-[1-(4-fluorophenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]piperidine-3-carboxamide
CID 95090961
N-cyclohexyl-1-[1-(4-fluorophenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]piperidine-3-carboxamide
CID 53123213
(3S)-1-[1-(4-chlorophenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]-N-propylpiperidine-3-carboxamide
CID 95090664
(3R)-1-[1-(4-chlorophenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]-N-(3-methylbutyl)piperidine-3-carboxamide
CID 95090668
(3S)-N-[(1R)-1-(3,4-dimethylphenyl)ethyl]-1-[1-(4-fluorophenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]piperidine-3-carboxamide
CID 95091007
N-(3-ethoxypropyl)-1-[1-(3-fluorophenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]piperidine-3-carboxamide
CID 53123130
1-[3-methyl-1-(4-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 53123065
(3R)-N-[(2-fluorophenyl)methyl]-1-[1-(4-methoxyphenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]piperidine-3-carboxamide
CID 95090641
(3S)-N-[(4-fluorophenyl)methyl]-1-[1-(3-fluorophenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]piperidine-3-carboxamide
CID 95090838
(3R)-1-[1-(3-chlorophenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 95091038
N-[(3-methoxyphenyl)methyl]-1-[1-(4-methoxyphenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]piperidine-3-carboxamide
CID 53123022

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-fluorophenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide?
The IUPAC name of 1-[1-(4-fluorophenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide (CID 53123204) is 1-[1-(4-fluorophenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[1-(4-fluorophenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-[1-(4-fluorophenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide is COCCNC(=O)C1CCCN(c2nc3c(s2)c(C)nn3-c2ccc(F)cc2)C1.
What is the InChIKey of 1-[1-(4-fluorophenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide?
The InChIKey is HYLGKIAKSOZGTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN5O2S/c1-13-17-18(26(24-13)16-7-5-15(21)6-8-16)23-20(29-17)25-10-3-4-14(12-25)19(27)22-9-11-28-2/h5-8,14H,3-4,9-12H2,1-2H3,(H,22,27).
What are the key properties of 1-[1-(4-fluorophenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide?
1-[1-(4-fluorophenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide has a molecular weight of 417.51 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-fluorophenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide is sourced from PubChem (CID 53123204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).