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

C24H23ClFN3O5 — CID 89382305

IUPAC2-[2-chloro-3-[4-[(4-fluorophenyl)methyl]-4-hydroxypiperidine-1-carbonyl]furo[3,4-b]pyridin-5-yl]-N,N-dimethyl-2-oxoacetamide
SMILESCN(C)C(=O)C(=O)c1occ2nc(Cl)c(C(=O)N3CCC(O)(Cc4ccc(F)cc4)CC3)cc12
InChIInChI=1S/C24H23ClFN3O5/c1-28(2)23(32)19(30)20-16-11-17(21(25)27-18(16)13-34-20)22(31)29-9-7-24(33,8-10-29)12-14-3-5-15(26)6-4-14/h3-6,11,13,33H,7-10,12H2,1-2H3
InChIKeyIXGGVCPMFKIVNK-UHFFFAOYSA-N
MW487.92 g/mol
LogP3.10
Rot. Bonds5

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

2-[2-chloro-3-[4-[(4-fluorophenyl)methyl]-4-hydroxypiperidine-1-carbonyl]furo[3,4-b]pyridin-5-yl]-N,N-dimethyl-2-oxoacetamide (PubChem CID 89382305) has the molecular formula C24H23ClFN3O5 and a molecular weight of 487.92 g/mol. Its IUPAC name is 2-[2-chloro-3-[4-[(4-fluorophenyl)methyl]-4-hydroxypiperidine-1-carbonyl]furo[3,4-b]pyridin-5-yl]-N,N-dimethyl-2-oxoacetamide.

Molecular Properties

Compound Name2-[2-chloro-3-[4-[(4-fluorophenyl)methyl]-4-hydroxypiperidine-1-carbonyl]furo[3,4-b]pyridin-5-yl]-N,N-dimethyl-2-oxoacetamide
PubChem CID89382305
Molecular FormulaC24H23ClFN3O5
Molecular Weight487.92 g/mol
Exact Mass487.13
IUPAC Name2-[2-chloro-3-[4-[(4-fluorophenyl)methyl]-4-hydroxypiperidine-1-carbonyl]furo[3,4-b]pyridin-5-yl]-N,N-dimethyl-2-oxoacetamide
SMILESCN(C)C(=O)C(=O)c1occ2nc(Cl)c(C(=O)N3CCC(O)(Cc4ccc(F)cc4)CC3)cc12
InChIInChI=1S/C24H23ClFN3O5/c1-28(2)23(32)19(30)20-16-11-17(21(25)27-18(16)13-34-20)22(31)29-9-7-24(33,8-10-29)12-14-3-5-15(26)6-4-14/h3-6,11,13,33H,7-10,12H2,1-2H3
InChIKeyIXGGVCPMFKIVNK-UHFFFAOYSA-N
XLogP3.10
TPSA103.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.92
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-3-[4-[(4-fluorophenyl)methyl]-4-hydroxypiperidine-1-carbonyl]furo[3,4-b]pyridin-5-yl]-N,N-dimethyl-2-oxoacetamide?
The IUPAC name of 2-[2-chloro-3-[4-[(4-fluorophenyl)methyl]-4-hydroxypiperidine-1-carbonyl]furo[3,4-b]pyridin-5-yl]-N,N-dimethyl-2-oxoacetamide (CID 89382305) is 2-[2-chloro-3-[4-[(4-fluorophenyl)methyl]-4-hydroxypiperidine-1-carbonyl]furo[3,4-b]pyridin-5-yl]-N,N-dimethyl-2-oxoacetamide.
What is the SMILES notation for 2-[2-chloro-3-[4-[(4-fluorophenyl)methyl]-4-hydroxypiperidine-1-carbonyl]furo[3,4-b]pyridin-5-yl]-N,N-dimethyl-2-oxoacetamide?
The canonical SMILES for 2-[2-chloro-3-[4-[(4-fluorophenyl)methyl]-4-hydroxypiperidine-1-carbonyl]furo[3,4-b]pyridin-5-yl]-N,N-dimethyl-2-oxoacetamide is CN(C)C(=O)C(=O)c1occ2nc(Cl)c(C(=O)N3CCC(O)(Cc4ccc(F)cc4)CC3)cc12.
What is the InChIKey of 2-[2-chloro-3-[4-[(4-fluorophenyl)methyl]-4-hydroxypiperidine-1-carbonyl]furo[3,4-b]pyridin-5-yl]-N,N-dimethyl-2-oxoacetamide?
The InChIKey is IXGGVCPMFKIVNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClFN3O5/c1-28(2)23(32)19(30)20-16-11-17(21(25)27-18(16)13-34-20)22(31)29-9-7-24(33,8-10-29)12-14-3-5-15(26)6-4-14/h3-6,11,13,33H,7-10,12H2,1-2H3.
What are the key properties of 2-[2-chloro-3-[4-[(4-fluorophenyl)methyl]-4-hydroxypiperidine-1-carbonyl]furo[3,4-b]pyridin-5-yl]-N,N-dimethyl-2-oxoacetamide?
2-[2-chloro-3-[4-[(4-fluorophenyl)methyl]-4-hydroxypiperidine-1-carbonyl]furo[3,4-b]pyridin-5-yl]-N,N-dimethyl-2-oxoacetamide has a molecular weight of 487.92 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-3-[4-[(4-fluorophenyl)methyl]-4-hydroxypiperidine-1-carbonyl]furo[3,4-b]pyridin-5-yl]-N,N-dimethyl-2-oxoacetamide is sourced from PubChem (CID 89382305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).