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

C24H23ClFN5OS — CID 95091038

IUPAC(3R)-1-[1-(3-chlorophenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
SMILESCc1nn(-c2cccc(Cl)c2)c2nc(N3CCC[C@@H](C(=O)NCc4ccc(F)cc4)C3)sc12
InChIInChI=1S/C24H23ClFN5OS/c1-15-21-22(31(29-15)20-6-2-5-18(25)12-20)28-24(33-21)30-11-3-4-17(14-30)23(32)27-13-16-7-9-19(26)10-8-16/h2,5-10,12,17H,3-4,11,13-14H2,1H3,(H,27,32)/t17-/m1/s1
InChIKeyGHVUSNKYBZKJGR-QGZVFWFLSA-N
MW484.00 g/mol
LogP5.12
Rot. Bonds5

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

(3R)-1-[1-(3-chlorophenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide (PubChem CID 95091038) has the molecular formula C24H23ClFN5OS and a molecular weight of 484.00 g/mol. Its IUPAC name is (3R)-1-[1-(3-chlorophenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[1-(3-chlorophenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
PubChem CID95091038
Molecular FormulaC24H23ClFN5OS
Molecular Weight484.00 g/mol
Exact Mass483.13
IUPAC Name(3R)-1-[1-(3-chlorophenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
SMILESCc1nn(-c2cccc(Cl)c2)c2nc(N3CCC[C@@H](C(=O)NCc4ccc(F)cc4)C3)sc12
InChIInChI=1S/C24H23ClFN5OS/c1-15-21-22(31(29-15)20-6-2-5-18(25)12-20)28-24(33-21)30-11-3-4-17(14-30)23(32)27-13-16-7-9-19(26)10-8-16/h2,5-10,12,17H,3-4,11,13-14H2,1H3,(H,27,32)/t17-/m1/s1
InChIKeyGHVUSNKYBZKJGR-QGZVFWFLSA-N
XLogP5.12
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.00
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3S)-N-[(4-fluorophenyl)methyl]-1-[1-(3-fluorophenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]piperidine-3-carboxamide
CID 95090838
1-[1-(4-fluorophenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]-N-[(4-methoxyphenyl)methyl]piperidine-3-carboxamide
CID 53123195
(3S)-N-[(4-methylphenyl)methyl]-1-(3-methyl-1-phenylpyrazolo[5,4-d][1,3]thiazol-5-yl)piperidine-3-carboxamide
CID 95090887
1-[3-methyl-1-(4-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 53123065
N-[(3-methoxyphenyl)methyl]-1-[1-(4-methoxyphenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]piperidine-3-carboxamide
CID 53123022
N-cyclohexyl-1-[1-(3-fluorophenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]piperidine-3-carboxamide
CID 53123135
N-(3-ethoxypropyl)-1-[1-(3-fluorophenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]piperidine-3-carboxamide
CID 53123130
1-[1-(4-fluorophenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide
CID 53123204
(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-chlorophenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]-N-propylpiperidine-3-carboxamide
CID 95090664
N-cyclohexyl-1-[1-(4-fluorophenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]piperidine-3-carboxamide
CID 53123213
1-[1-(4-chlorophenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]-N-[(5-methylfuran-2-yl)methyl]piperidine-3-carboxamide
CID 53123045

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[1-(3-chlorophenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-1-[1-(3-chlorophenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide (CID 95091038) is (3R)-1-[1-(3-chlorophenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[1-(3-chlorophenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-[1-(3-chlorophenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide is Cc1nn(-c2cccc(Cl)c2)c2nc(N3CCC[C@@H](C(=O)NCc4ccc(F)cc4)C3)sc12.
What is the InChIKey of (3R)-1-[1-(3-chlorophenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide?
The InChIKey is GHVUSNKYBZKJGR-QGZVFWFLSA-N. The full InChI is InChI=1S/C24H23ClFN5OS/c1-15-21-22(31(29-15)20-6-2-5-18(25)12-20)28-24(33-21)30-11-3-4-17(14-30)23(32)27-13-16-7-9-19(26)10-8-16/h2,5-10,12,17H,3-4,11,13-14H2,1H3,(H,27,32)/t17-/m1/s1.
What are the key properties of (3R)-1-[1-(3-chlorophenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide?
(3R)-1-[1-(3-chlorophenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide has a molecular weight of 484.00 g/mol, XLogP of 5.12, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[1-(3-chlorophenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 95091038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).