2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]-4-hydroxypiperidine-1-carbonyl]-[1,2]thiazolo[3,4-b]pyridin-3-yl]-N,N-dimethyl-2-oxoacetamide

C23H22ClFN4O4S — CID 89382443

IUPAC2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]-4-hydroxypiperidine-1-carbonyl]-[1,2]thiazolo[3,4-b]pyridin-3-yl]-N,N-dimethyl-2-oxoacetamide
SMILESCN(C)C(=O)C(=O)c1snc2nc(Cl)c(C(=O)N3CCC(O)(Cc4ccc(F)cc4)CC3)cc12
InChIInChI=1S/C23H22ClFN4O4S/c1-28(2)22(32)17(30)18-15-11-16(19(24)26-20(15)27-34-18)21(31)29-9-7-23(33,8-10-29)12-13-3-5-14(25)6-4-13/h3-6,11,33H,7-10,12H2,1-2H3
InChIKeySRKFYHWVSMATJV-UHFFFAOYSA-N
MW504.97 g/mol
LogP2.96
Rot. Bonds5

About 2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]-4-hydroxypiperidine-1-carbonyl]-[1,2]thiazolo[3,4-b]pyridin-3-yl]-N,N-dimethyl-2-oxoacetamide

2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]-4-hydroxypiperidine-1-carbonyl]-[1,2]thiazolo[3,4-b]pyridin-3-yl]-N,N-dimethyl-2-oxoacetamide (PubChem CID 89382443) has the molecular formula C23H22ClFN4O4S and a molecular weight of 504.97 g/mol. Its IUPAC name is 2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]-4-hydroxypiperidine-1-carbonyl]-[1,2]thiazolo[3,4-b]pyridin-3-yl]-N,N-dimethyl-2-oxoacetamide.

Molecular Properties

Compound Name2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]-4-hydroxypiperidine-1-carbonyl]-[1,2]thiazolo[3,4-b]pyridin-3-yl]-N,N-dimethyl-2-oxoacetamide
PubChem CID89382443
Molecular FormulaC23H22ClFN4O4S
Molecular Weight504.97 g/mol
Exact Mass504.10
IUPAC Name2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]-4-hydroxypiperidine-1-carbonyl]-[1,2]thiazolo[3,4-b]pyridin-3-yl]-N,N-dimethyl-2-oxoacetamide
SMILESCN(C)C(=O)C(=O)c1snc2nc(Cl)c(C(=O)N3CCC(O)(Cc4ccc(F)cc4)CC3)cc12
InChIInChI=1S/C23H22ClFN4O4S/c1-28(2)22(32)17(30)18-15-11-16(19(24)26-20(15)27-34-18)21(31)29-9-7-23(33,8-10-29)12-13-3-5-14(25)6-4-13/h3-6,11,33H,7-10,12H2,1-2H3
InChIKeySRKFYHWVSMATJV-UHFFFAOYSA-N
XLogP2.96
TPSA103.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.97
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]-4-hydroxypiperidine-1-carbonyl]-[1,2]thiazolo[3,4-b]pyridin-3-yl]-N,N-dimethyl-2-oxoacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]-4-hydroxypiperidine-1-carbonyl]-6,7-dihydrothieno[3,2-b]pyridin-3-yl]-N,N-dimethyl-2-oxoacetamide
CID 143402972
2-[1-amino-6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]pyrrolo[2,3-b]pyridin-3-yl]-N,N-dimethyl-2-oxoacetamide
CID 58907983
methyl 2-[5-[4-fluoro-4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-[1,2]thiazolo[5,4-b]pyridin-3-yl]-2-oxoacetate
CID 71218377
1-[1-[4-[(4-fluorophenyl)methyl]-4-hydroxypiperidine-1-carbonyl]cyclopropyl]ethanone
CID 131961692
2-[6-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-5-methoxy-2-benzothiophen-1-yl]-N,N-dimethyl-2-oxoacetamide
CID 71218220
4-[(4-fluorophenyl)methyl]-1-propan-2-ylpiperidin-4-ol
CID 60895688
(5-fluoro-2-pyridin-4-ylphenyl)-[4-hydroxy-4-[(4-isocyanophenyl)methyl]piperidin-1-yl]methanone
CID 123254660
[3-[(4-fluorophenyl)methyl]-3-hydroxypyrrolidin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 126818993
[4-[(4-fluorophenyl)methyl]-4-hydroxypiperidin-1-yl]-(3-pyridin-4-ylpyrazin-2-yl)methanone
CID 89491755
methyl 2-[5-[4-fluoro-4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-[1,2]oxazolo[5,4-b]pyridin-3-yl]-2-oxoacetate
CID 71218138
3-chloro-5-[4-hydroxy-4-(pyridin-4-ylmethyl)piperidine-1-carbonyl]-1H-pyridin-4-one
CID 139014116
[2-(3-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-[4-[(3-fluorophenyl)methyl]-4-hydroxypiperidin-1-yl]methanone
CID 86797102

Frequently Asked Questions

What is the IUPAC name of 2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]-4-hydroxypiperidine-1-carbonyl]-[1,2]thiazolo[3,4-b]pyridin-3-yl]-N,N-dimethyl-2-oxoacetamide?
The IUPAC name of 2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]-4-hydroxypiperidine-1-carbonyl]-[1,2]thiazolo[3,4-b]pyridin-3-yl]-N,N-dimethyl-2-oxoacetamide (CID 89382443) is 2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]-4-hydroxypiperidine-1-carbonyl]-[1,2]thiazolo[3,4-b]pyridin-3-yl]-N,N-dimethyl-2-oxoacetamide.
What is the SMILES notation for 2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]-4-hydroxypiperidine-1-carbonyl]-[1,2]thiazolo[3,4-b]pyridin-3-yl]-N,N-dimethyl-2-oxoacetamide?
The canonical SMILES for 2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]-4-hydroxypiperidine-1-carbonyl]-[1,2]thiazolo[3,4-b]pyridin-3-yl]-N,N-dimethyl-2-oxoacetamide is CN(C)C(=O)C(=O)c1snc2nc(Cl)c(C(=O)N3CCC(O)(Cc4ccc(F)cc4)CC3)cc12.
What is the InChIKey of 2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]-4-hydroxypiperidine-1-carbonyl]-[1,2]thiazolo[3,4-b]pyridin-3-yl]-N,N-dimethyl-2-oxoacetamide?
The InChIKey is SRKFYHWVSMATJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClFN4O4S/c1-28(2)22(32)17(30)18-15-11-16(19(24)26-20(15)27-34-18)21(31)29-9-7-23(33,8-10-29)12-13-3-5-14(25)6-4-13/h3-6,11,33H,7-10,12H2,1-2H3.
What are the key properties of 2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]-4-hydroxypiperidine-1-carbonyl]-[1,2]thiazolo[3,4-b]pyridin-3-yl]-N,N-dimethyl-2-oxoacetamide?
2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]-4-hydroxypiperidine-1-carbonyl]-[1,2]thiazolo[3,4-b]pyridin-3-yl]-N,N-dimethyl-2-oxoacetamide has a molecular weight of 504.97 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]-4-hydroxypiperidine-1-carbonyl]-[1,2]thiazolo[3,4-b]pyridin-3-yl]-N,N-dimethyl-2-oxoacetamide is sourced from PubChem (CID 89382443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).