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

C22H26FN5OS — CID 95090961

IUPAC(3R)-N-cyclopentyl-1-[1-(4-fluorophenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]piperidine-3-carboxamide
SMILESCc1nn(-c2ccc(F)cc2)c2nc(N3CCC[C@@H](C(=O)NC4CCCC4)C3)sc12
InChIInChI=1S/C22H26FN5OS/c1-14-19-20(28(26-14)18-10-8-16(23)9-11-18)25-22(30-19)27-12-4-5-15(13-27)21(29)24-17-6-2-3-7-17/h8-11,15,17H,2-7,12-13H2,1H3,(H,24,29)/t15-/m1/s1
InChIKeyPPSTZZVQUSFQHU-OAHLLOKOSA-N
MW427.55 g/mol
LogP4.20
Rot. Bonds4

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

(3R)-N-cyclopentyl-1-[1-(4-fluorophenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]piperidine-3-carboxamide (PubChem CID 95090961) has the molecular formula C22H26FN5OS and a molecular weight of 427.55 g/mol. Its IUPAC name is (3R)-N-cyclopentyl-1-[1-(4-fluorophenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-cyclopentyl-1-[1-(4-fluorophenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]piperidine-3-carboxamide
PubChem CID95090961
Molecular FormulaC22H26FN5OS
Molecular Weight427.55 g/mol
Exact Mass427.18
IUPAC Name(3R)-N-cyclopentyl-1-[1-(4-fluorophenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]piperidine-3-carboxamide
SMILESCc1nn(-c2ccc(F)cc2)c2nc(N3CCC[C@@H](C(=O)NC4CCCC4)C3)sc12
InChIInChI=1S/C22H26FN5OS/c1-14-19-20(28(26-14)18-10-8-16(23)9-11-18)25-22(30-19)27-12-4-5-15(13-27)21(29)24-17-6-2-3-7-17/h8-11,15,17H,2-7,12-13H2,1H3,(H,24,29)/t15-/m1/s1
InChIKeyPPSTZZVQUSFQHU-OAHLLOKOSA-N
XLogP4.20
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.55
LogP ≤ 54.20
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-cycloheptyl-1-[3-methyl-1-(4-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]piperidine-3-carboxamide
CID 95090712
1-[1-(4-chlorophenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]-N-cyclopentylpiperidine-3-carboxamide
CID 53123033
(3R)-N-cyclohexyl-1-[1-(4-methoxyphenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]piperidine-3-carboxamide
CID 95090637
N-cyclohexyl-1-[1-(3-fluorophenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]piperidine-3-carboxamide
CID 53123135
1-[1-(4-fluorophenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide
CID 53123204
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-[(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
1-[3-methyl-1-(4-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 53123065
(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-[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

Frequently Asked Questions

What is the IUPAC name of (3R)-N-cyclopentyl-1-[1-(4-fluorophenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]piperidine-3-carboxamide?
The IUPAC name of (3R)-N-cyclopentyl-1-[1-(4-fluorophenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]piperidine-3-carboxamide (CID 95090961) is (3R)-N-cyclopentyl-1-[1-(4-fluorophenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-cyclopentyl-1-[1-(4-fluorophenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-cyclopentyl-1-[1-(4-fluorophenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]piperidine-3-carboxamide is Cc1nn(-c2ccc(F)cc2)c2nc(N3CCC[C@@H](C(=O)NC4CCCC4)C3)sc12.
What is the InChIKey of (3R)-N-cyclopentyl-1-[1-(4-fluorophenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]piperidine-3-carboxamide?
The InChIKey is PPSTZZVQUSFQHU-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H26FN5OS/c1-14-19-20(28(26-14)18-10-8-16(23)9-11-18)25-22(30-19)27-12-4-5-15(13-27)21(29)24-17-6-2-3-7-17/h8-11,15,17H,2-7,12-13H2,1H3,(H,24,29)/t15-/m1/s1.
What are the key properties of (3R)-N-cyclopentyl-1-[1-(4-fluorophenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]piperidine-3-carboxamide?
(3R)-N-cyclopentyl-1-[1-(4-fluorophenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]piperidine-3-carboxamide has a molecular weight of 427.55 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-cyclopentyl-1-[1-(4-fluorophenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]piperidine-3-carboxamide is sourced from PubChem (CID 95090961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).