(3R)-N-(3-chloro-4-methoxyphenyl)-1-[3-methyl-1-(4-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]piperidine-3-carboxamide

C25H26ClN5O2S — CID 95090761

IUPAC(3R)-N-(3-chloro-4-methoxyphenyl)-1-[3-methyl-1-(4-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]piperidine-3-carboxamide
SMILESCOc1ccc(NC(=O)[C@@H]2CCCN(c3nc4c(s3)c(C)nn4-c3ccc(C)cc3)C2)cc1Cl
InChIInChI=1S/C25H26ClN5O2S/c1-15-6-9-19(10-7-15)31-23-22(16(2)29-31)34-25(28-23)30-12-4-5-17(14-30)24(32)27-18-8-11-21(33-3)20(26)13-18/h6-11,13,17H,4-5,12,14H2,1-3H3,(H,27,32)/t17-/m1/s1
InChIKeyBILYASOJYRMDSI-QGZVFWFLSA-N
MW496.04 g/mol
LogP5.62
Rot. Bonds5

About (3R)-N-(3-chloro-4-methoxyphenyl)-1-[3-methyl-1-(4-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]piperidine-3-carboxamide

(3R)-N-(3-chloro-4-methoxyphenyl)-1-[3-methyl-1-(4-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]piperidine-3-carboxamide (PubChem CID 95090761) has the molecular formula C25H26ClN5O2S and a molecular weight of 496.04 g/mol. Its IUPAC name is (3R)-N-(3-chloro-4-methoxyphenyl)-1-[3-methyl-1-(4-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(3-chloro-4-methoxyphenyl)-1-[3-methyl-1-(4-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]piperidine-3-carboxamide
PubChem CID95090761
Molecular FormulaC25H26ClN5O2S
Molecular Weight496.04 g/mol
Exact Mass495.15
IUPAC Name(3R)-N-(3-chloro-4-methoxyphenyl)-1-[3-methyl-1-(4-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]piperidine-3-carboxamide
SMILESCOc1ccc(NC(=O)[C@@H]2CCCN(c3nc4c(s3)c(C)nn4-c3ccc(C)cc3)C2)cc1Cl
InChIInChI=1S/C25H26ClN5O2S/c1-15-6-9-19(10-7-15)31-23-22(16(2)29-31)34-25(28-23)30-12-4-5-17(14-30)24(32)27-18-8-11-21(33-3)20(26)13-18/h6-11,13,17H,4-5,12,14H2,1-3H3,(H,27,32)/t17-/m1/s1
InChIKeyBILYASOJYRMDSI-QGZVFWFLSA-N
XLogP5.62
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.04
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(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
(3S)-N-(2,4-dimethylphenyl)-1-[1-(4-methoxyphenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]piperidine-3-carboxamide
CID 95090617
(3R)-N-cycloheptyl-1-[3-methyl-1-(4-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]piperidine-3-carboxamide
CID 95090712
(3S)-1-[1-(4-methoxyphenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]-N-(2-methylphenyl)piperidine-3-carboxamide
CID 95090613
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-cyclohexyl-1-[1-(4-methoxyphenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]piperidine-3-carboxamide
CID 95090637
(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
(3S)-1-[1-(4-chlorophenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]-N-[(1R)-1-(4-methylphenyl)ethyl]piperidine-3-carboxamide
CID 95090689
1-[1-(4-chlorophenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]-N-cyclopentylpiperidine-3-carboxamide
CID 53123033
(3R)-N-[(2,5-dimethoxyphenyl)methyl]-1-(3-methyl-1-phenylpyrazolo[5,4-d][1,3]thiazol-5-yl)piperidine-3-carboxamide
CID 95090939
(3S)-1-[1-(4-chlorophenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]-N-propylpiperidine-3-carboxamide
CID 95090664
(3R)-1-[3-methyl-1-(4-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 95113658

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(3-chloro-4-methoxyphenyl)-1-[3-methyl-1-(4-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]piperidine-3-carboxamide?
The IUPAC name of (3R)-N-(3-chloro-4-methoxyphenyl)-1-[3-methyl-1-(4-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]piperidine-3-carboxamide (CID 95090761) is (3R)-N-(3-chloro-4-methoxyphenyl)-1-[3-methyl-1-(4-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(3-chloro-4-methoxyphenyl)-1-[3-methyl-1-(4-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-(3-chloro-4-methoxyphenyl)-1-[3-methyl-1-(4-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]piperidine-3-carboxamide is COc1ccc(NC(=O)[C@@H]2CCCN(c3nc4c(s3)c(C)nn4-c3ccc(C)cc3)C2)cc1Cl.
What is the InChIKey of (3R)-N-(3-chloro-4-methoxyphenyl)-1-[3-methyl-1-(4-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]piperidine-3-carboxamide?
The InChIKey is BILYASOJYRMDSI-QGZVFWFLSA-N. The full InChI is InChI=1S/C25H26ClN5O2S/c1-15-6-9-19(10-7-15)31-23-22(16(2)29-31)34-25(28-23)30-12-4-5-17(14-30)24(32)27-18-8-11-21(33-3)20(26)13-18/h6-11,13,17H,4-5,12,14H2,1-3H3,(H,27,32)/t17-/m1/s1.
What are the key properties of (3R)-N-(3-chloro-4-methoxyphenyl)-1-[3-methyl-1-(4-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]piperidine-3-carboxamide?
(3R)-N-(3-chloro-4-methoxyphenyl)-1-[3-methyl-1-(4-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]piperidine-3-carboxamide has a molecular weight of 496.04 g/mol, XLogP of 5.62, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(3-chloro-4-methoxyphenyl)-1-[3-methyl-1-(4-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]piperidine-3-carboxamide is sourced from PubChem (CID 95090761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).