N-(2-ethyl-6-methylphenyl)-1-[1-(3-fluorophenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]piperidine-3-carboxamide

C26H28FN5OS — CID 53123125

IUPACN-(2-ethyl-6-methylphenyl)-1-[1-(3-fluorophenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]piperidine-3-carboxamide
SMILESCCc1cccc(C)c1NC(=O)C1CCCN(c2nc3c(s2)c(C)nn3-c2cccc(F)c2)C1
InChIInChI=1S/C26H28FN5OS/c1-4-18-9-5-8-16(2)22(18)28-25(33)19-10-7-13-31(15-19)26-29-24-23(34-26)17(3)30-32(24)21-12-6-11-20(27)14-21/h5-6,8-9,11-12,14,19H,4,7,10,13,15H2,1-3H3,(H,28,33)
InChIKeyGDXYXHSFUFRQDH-UHFFFAOYSA-N
MW477.61 g/mol
LogP5.66
Rot. Bonds5

About N-(2-ethyl-6-methylphenyl)-1-[1-(3-fluorophenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]piperidine-3-carboxamide

N-(2-ethyl-6-methylphenyl)-1-[1-(3-fluorophenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]piperidine-3-carboxamide (PubChem CID 53123125) has the molecular formula C26H28FN5OS and a molecular weight of 477.61 g/mol. Its IUPAC name is N-(2-ethyl-6-methylphenyl)-1-[1-(3-fluorophenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-ethyl-6-methylphenyl)-1-[1-(3-fluorophenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]piperidine-3-carboxamide
PubChem CID53123125
Molecular FormulaC26H28FN5OS
Molecular Weight477.61 g/mol
Exact Mass477.20
IUPAC NameN-(2-ethyl-6-methylphenyl)-1-[1-(3-fluorophenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]piperidine-3-carboxamide
SMILESCCc1cccc(C)c1NC(=O)C1CCCN(c2nc3c(s2)c(C)nn3-c2cccc(F)c2)C1
InChIInChI=1S/C26H28FN5OS/c1-4-18-9-5-8-16(2)22(18)28-25(33)19-10-7-13-31(15-19)26-29-24-23(34-26)17(3)30-32(24)21-12-6-11-20(27)14-21/h5-6,8-9,11-12,14,19H,4,7,10,13,15H2,1-3H3,(H,28,33)
InChIKeyGDXYXHSFUFRQDH-UHFFFAOYSA-N
XLogP5.66
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.61
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclohexyl-1-[1-(3-fluorophenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]piperidine-3-carboxamide
CID 53123135
(3S)-N-[(4-fluorophenyl)methyl]-1-[1-(3-fluorophenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]piperidine-3-carboxamide
CID 95090838
N-(3-ethoxypropyl)-1-[1-(3-fluorophenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]piperidine-3-carboxamide
CID 53123130
(3R)-1-[3-methyl-1-(4-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]-N-(2,4,6-trimethylphenyl)piperidine-3-carboxamide
CID 95090745
(3R)-1-[1-(3-chlorophenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 95091038
(3R)-N-cyclopentyl-1-[1-(4-fluorophenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]piperidine-3-carboxamide
CID 95090961
(3S)-1-[1-(4-methoxyphenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]-N-(2-methylphenyl)piperidine-3-carboxamide
CID 95090613
N-cyclohexyl-1-[1-(4-fluorophenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]piperidine-3-carboxamide
CID 53123213
1-[1-(4-methoxyphenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide
CID 53123028
N-(2-ethyl-6-methylphenyl)-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 20926438
(3R)-1-[3-methyl-1-(4-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]-N-[2-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 95090702
(3R)-N-[(2-fluorophenyl)methyl]-1-[1-(4-methoxyphenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]piperidine-3-carboxamide
CID 95090641

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-6-methylphenyl)-1-[1-(3-fluorophenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]piperidine-3-carboxamide?
The IUPAC name of N-(2-ethyl-6-methylphenyl)-1-[1-(3-fluorophenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]piperidine-3-carboxamide (CID 53123125) is N-(2-ethyl-6-methylphenyl)-1-[1-(3-fluorophenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]piperidine-3-carboxamide.
What is the SMILES notation for N-(2-ethyl-6-methylphenyl)-1-[1-(3-fluorophenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]piperidine-3-carboxamide?
The canonical SMILES for N-(2-ethyl-6-methylphenyl)-1-[1-(3-fluorophenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]piperidine-3-carboxamide is CCc1cccc(C)c1NC(=O)C1CCCN(c2nc3c(s2)c(C)nn3-c2cccc(F)c2)C1.
What is the InChIKey of N-(2-ethyl-6-methylphenyl)-1-[1-(3-fluorophenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]piperidine-3-carboxamide?
The InChIKey is GDXYXHSFUFRQDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FN5OS/c1-4-18-9-5-8-16(2)22(18)28-25(33)19-10-7-13-31(15-19)26-29-24-23(34-26)17(3)30-32(24)21-12-6-11-20(27)14-21/h5-6,8-9,11-12,14,19H,4,7,10,13,15H2,1-3H3,(H,28,33).
What are the key properties of N-(2-ethyl-6-methylphenyl)-1-[1-(3-fluorophenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]piperidine-3-carboxamide?
N-(2-ethyl-6-methylphenyl)-1-[1-(3-fluorophenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]piperidine-3-carboxamide has a molecular weight of 477.61 g/mol, XLogP of 5.66, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-6-methylphenyl)-1-[1-(3-fluorophenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]piperidine-3-carboxamide is sourced from PubChem (CID 53123125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).