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

C23H28FN5OS — CID 53123135

IUPACN-cyclohexyl-1-[1-(3-fluorophenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]piperidine-3-carboxamide
SMILESCc1nn(-c2cccc(F)c2)c2nc(N3CCCC(C(=O)NC4CCCCC4)C3)sc12
InChIInChI=1S/C23H28FN5OS/c1-15-20-21(29(27-15)19-11-5-8-17(24)13-19)26-23(31-20)28-12-6-7-16(14-28)22(30)25-18-9-3-2-4-10-18/h5,8,11,13,16,18H,2-4,6-7,9-10,12,14H2,1H3,(H,25,30)
InChIKeyRODVVKNISQAONG-UHFFFAOYSA-N
MW441.58 g/mol
LogP4.59
Rot. Bonds4

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

N-cyclohexyl-1-[1-(3-fluorophenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]piperidine-3-carboxamide (PubChem CID 53123135) has the molecular formula C23H28FN5OS and a molecular weight of 441.58 g/mol. Its IUPAC name is N-cyclohexyl-1-[1-(3-fluorophenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-1-[1-(3-fluorophenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]piperidine-3-carboxamide
PubChem CID53123135
Molecular FormulaC23H28FN5OS
Molecular Weight441.58 g/mol
Exact Mass441.20
IUPAC NameN-cyclohexyl-1-[1-(3-fluorophenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]piperidine-3-carboxamide
SMILESCc1nn(-c2cccc(F)c2)c2nc(N3CCCC(C(=O)NC4CCCCC4)C3)sc12
InChIInChI=1S/C23H28FN5OS/c1-15-20-21(29(27-15)19-11-5-8-17(24)13-19)26-23(31-20)28-12-6-7-16(14-28)22(30)25-18-9-3-2-4-10-18/h5,8,11,13,16,18H,2-4,6-7,9-10,12,14H2,1H3,(H,25,30)
InChIKeyRODVVKNISQAONG-UHFFFAOYSA-N
XLogP4.59
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.58
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclohexyl-1-[1-(4-fluorophenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]piperidine-3-carboxamide
CID 53123213
(3R)-N-cyclopentyl-1-[1-(4-fluorophenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]piperidine-3-carboxamide
CID 95090961
(3R)-N-cycloheptyl-1-[3-methyl-1-(4-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]piperidine-3-carboxamide
CID 95090712
(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)-N-cyclohexyl-1-[1-(4-methoxyphenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]piperidine-3-carboxamide
CID 95090637
N-(2-ethyl-6-methylphenyl)-1-[1-(3-fluorophenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]piperidine-3-carboxamide
CID 53123125
1-[1-(4-chlorophenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]-N-cyclopentylpiperidine-3-carboxamide
CID 53123033
N-(3-ethoxypropyl)-1-[1-(3-fluorophenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]piperidine-3-carboxamide
CID 53123130
(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-cyclopentyl-1-[1-(3-fluorophenyl)-6-oxopyridazin-3-yl]piperidine-3-carboxamide
CID 53071132
1-[1-(4-fluorophenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide
CID 53123204
(3S)-N-[(4-methylphenyl)methyl]-1-(3-methyl-1-phenylpyrazolo[5,4-d][1,3]thiazol-5-yl)piperidine-3-carboxamide
CID 95090887

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-[1-(3-fluorophenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]piperidine-3-carboxamide?
The IUPAC name of N-cyclohexyl-1-[1-(3-fluorophenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]piperidine-3-carboxamide (CID 53123135) is N-cyclohexyl-1-[1-(3-fluorophenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]piperidine-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-1-[1-(3-fluorophenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]piperidine-3-carboxamide?
The canonical SMILES for N-cyclohexyl-1-[1-(3-fluorophenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]piperidine-3-carboxamide is Cc1nn(-c2cccc(F)c2)c2nc(N3CCCC(C(=O)NC4CCCCC4)C3)sc12.
What is the InChIKey of N-cyclohexyl-1-[1-(3-fluorophenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]piperidine-3-carboxamide?
The InChIKey is RODVVKNISQAONG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FN5OS/c1-15-20-21(29(27-15)19-11-5-8-17(24)13-19)26-23(31-20)28-12-6-7-16(14-28)22(30)25-18-9-3-2-4-10-18/h5,8,11,13,16,18H,2-4,6-7,9-10,12,14H2,1H3,(H,25,30).
What are the key properties of N-cyclohexyl-1-[1-(3-fluorophenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]piperidine-3-carboxamide?
N-cyclohexyl-1-[1-(3-fluorophenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]piperidine-3-carboxamide has a molecular weight of 441.58 g/mol, XLogP of 4.59, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-[1-(3-fluorophenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]piperidine-3-carboxamide is sourced from PubChem (CID 53123135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).