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

C23H21F2N3O6 — CID 71218138

IUPACmethyl 2-[5-[4-fluoro-4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-[1,2]oxazolo[5,4-b]pyridin-3-yl]-2-oxoacetate
SMILESCOC(=O)C(=O)c1noc2nc(OC)c(C(=O)N3CCC(F)(Cc4ccc(F)cc4)CC3)cc12
InChIInChI=1S/C23H21F2N3O6/c1-32-19-16(11-15-17(18(29)22(31)33-2)27-34-20(15)26-19)21(30)28-9-7-23(25,8-10-28)12-13-3-5-14(24)6-4-13/h3-6,11H,7-10,12H2,1-2H3
InChIKeyVCOVACUDHPDSSM-UHFFFAOYSA-N
MW473.43 g/mol
LogP2.91
Rot. Bonds6

About 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

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 (PubChem CID 71218138) has the molecular formula C23H21F2N3O6 and a molecular weight of 473.43 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Namemethyl 2-[5-[4-fluoro-4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-[1,2]oxazolo[5,4-b]pyridin-3-yl]-2-oxoacetate
PubChem CID71218138
Molecular FormulaC23H21F2N3O6
Molecular Weight473.43 g/mol
Exact Mass473.14
IUPAC Namemethyl 2-[5-[4-fluoro-4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-[1,2]oxazolo[5,4-b]pyridin-3-yl]-2-oxoacetate
SMILESCOC(=O)C(=O)c1noc2nc(OC)c(C(=O)N3CCC(F)(Cc4ccc(F)cc4)CC3)cc12
InChIInChI=1S/C23H21F2N3O6/c1-32-19-16(11-15-17(18(29)22(31)33-2)27-34-20(15)26-19)21(30)28-9-7-23(25,8-10-28)12-13-3-5-14(24)6-4-13/h3-6,11H,7-10,12H2,1-2H3
InChIKeyVCOVACUDHPDSSM-UHFFFAOYSA-N
XLogP2.91
TPSA111.83 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.43
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 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 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

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
methyl 2-[6-[4-fluoro-4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-7-methoxy-2H-thiopyrano[2,3-b]pyridin-4-yl]-2-oxoacetate
CID 143403032
methyl 2-[5-[4-fluoro-4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-[1,2]thiazolo[4,5-b]pyridin-3-yl]-2-oxoacetate
CID 71217904
methyl 2-[3-[4-fluoro-4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6H-pyrrolo[3,4-b]pyridin-5-yl]-2-oxoacetate
CID 143402863
[(3S)-3-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]-(2-methoxy-3-pyridinyl)methanone
CID 42298650
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
(4,4-difluoropiperidin-1-yl)-(2-methoxy-3-pyridinyl)methanone
CID 121184561
(3R,4R)-3-[(4-fluorophenyl)methyl]-4-hydroxy-1-(2-methoxypyridine-3-carbonyl)piperidine-3-carboxylic acid
CID 164696381
5-[(4-fluorophenyl)methyl]-5-[3-[4-(2-methoxybenzoyl)piperazin-1-yl]-3-oxopropyl]pyrrolidin-2-one
CID 45181644
N-[(4-fluorophenyl)methyl]-1-(4-methoxybenzoyl)-4-methylpiperidine-4-carboxamide
CID 52999128
1-(4-fluorobenzoyl)-N-[(4-methoxyphenyl)methyl]-4-methylpiperidine-4-carboxamide
CID 52999112
2-[5-[cyclopropylidene-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-6-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-methyl-2-oxoacetamide
CID 143310833

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COC(=O)C(=O)c1noc2nc(OC)c(C(=O)N3CCC(F)(Cc4ccc(F)cc4)CC3)cc12.
What is the InChIKey of 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?
The InChIKey is VCOVACUDHPDSSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F2N3O6/c1-32-19-16(11-15-17(18(29)22(31)33-2)27-34-20(15)26-19)21(30)28-9-7-23(25,8-10-28)12-13-3-5-14(24)6-4-13/h3-6,11H,7-10,12H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 473.43 g/mol, XLogP of 2.91, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 71218138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).