methyl (4R)-2-amino-4-(4-chlorophenyl)-7-methyl-5-oxo-6-(2-phenylethyl)-4H-pyrano[3,2-c]pyridine-3-carboxylate

C25H23ClN2O4 — CID 41035447

IUPACmethyl (4R)-2-amino-4-(4-chlorophenyl)-7-methyl-5-oxo-6-(2-phenylethyl)-4H-pyrano[3,2-c]pyridine-3-carboxylate
SMILESCOC(=O)C1=C(N)Oc2cc(C)n(CCc3ccccc3)c(=O)c2[C@H]1c1ccc(Cl)cc1
InChIInChI=1S/C25H23ClN2O4/c1-15-14-19-21(24(29)28(15)13-12-16-6-4-3-5-7-16)20(17-8-10-18(26)11-9-17)22(23(27)32-19)25(30)31-2/h3-11,14,20H,12-13,27H2,1-2H3/t20-/m1/s1
InChIKeyFCRLCZIVFMGQAD-HXUWFJFHSA-N
MW450.92 g/mol
LogP3.92
Rot. Bonds5

About methyl (4R)-2-amino-4-(4-chlorophenyl)-7-methyl-5-oxo-6-(2-phenylethyl)-4H-pyrano[3,2-c]pyridine-3-carboxylate

methyl (4R)-2-amino-4-(4-chlorophenyl)-7-methyl-5-oxo-6-(2-phenylethyl)-4H-pyrano[3,2-c]pyridine-3-carboxylate (PubChem CID 41035447) has the molecular formula C25H23ClN2O4 and a molecular weight of 450.92 g/mol. Its IUPAC name is methyl (4R)-2-amino-4-(4-chlorophenyl)-7-methyl-5-oxo-6-(2-phenylethyl)-4H-pyrano[3,2-c]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl (4R)-2-amino-4-(4-chlorophenyl)-7-methyl-5-oxo-6-(2-phenylethyl)-4H-pyrano[3,2-c]pyridine-3-carboxylate
PubChem CID41035447
Molecular FormulaC25H23ClN2O4
Molecular Weight450.92 g/mol
Exact Mass450.13
IUPAC Namemethyl (4R)-2-amino-4-(4-chlorophenyl)-7-methyl-5-oxo-6-(2-phenylethyl)-4H-pyrano[3,2-c]pyridine-3-carboxylate
SMILESCOC(=O)C1=C(N)Oc2cc(C)n(CCc3ccccc3)c(=O)c2[C@H]1c1ccc(Cl)cc1
InChIInChI=1S/C25H23ClN2O4/c1-15-14-19-21(24(29)28(15)13-12-16-6-4-3-5-7-16)20(17-8-10-18(26)11-9-17)22(23(27)32-19)25(30)31-2/h3-11,14,20H,12-13,27H2,1-2H3/t20-/m1/s1
InChIKeyFCRLCZIVFMGQAD-HXUWFJFHSA-N
XLogP3.92
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.92
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl (4R)-2-amino-4-(4-chlorophenyl)-7-methyl-5-oxo-6-(2-phenylethyl)-4H-pyrano[3,2-c]pyridine-3-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

methyl (4R)-2-amino-7-methyl-5-oxo-4-phenyl-6-(2-phenylethyl)-4H-pyrano[3,2-c]pyridine-3-carboxylate
CID 7056332
methyl 2-amino-6-benzyl-7-methyl-5-oxo-4-pyridin-4-yl-4H-pyrano[3,2-c]pyridine-3-carboxylate
CID 3281146
methyl 2-amino-6-ethyl-7-methyl-5-oxo-4-phenyl-4H-pyrano[3,2-c]pyridine-3-carboxylate
CID 4970140
methyl (4S)-2-amino-4-(4-bromophenyl)-6-[2-(3,4-dimethoxyphenyl)ethyl]-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carboxylate
CID 98156731
methyl (4R)-2-amino-6-benzyl-4-(3-methoxyphenyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carboxylate
CID 41388703
methyl 2-amino-4-(2-chlorophenyl)-6-(2-hydroxyethyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carboxylate
CID 23475527
2-amino-4-(4-methoxyphenyl)-7-methyl-5-oxo-6-(2-phenylethyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile
CID 2754014
methyl (4R)-2-amino-6-benzyl-4-[3-[hydroxy(oxido)amino]phenyl]-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carboxylate
CID 163121044
methyl 2-amino-4-(2-chlorophenyl)-6-(2-methoxyethyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carboxylate
CID 16833129
methyl (4S)-2-amino-4-(3-chlorophenyl)-7-methyl-6-(2-morpholin-4-ylethyl)-5-oxo-4H-pyrano[3,2-c]pyridine-3-carboxylate
CID 28874974
3-(2-amino-6-benzyl-3-methoxycarbonyl-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridin-4-yl)-N-hydroxybenzeneamine oxide
CID 163121041
methyl (4S)-2-amino-7-methyl-5-oxo-4-phenyl-6-(pyridin-2-ylmethyl)-4H-pyrano[3,2-c]pyridine-3-carboxylate
CID 2147773

Frequently Asked Questions

What is the IUPAC name of methyl (4R)-2-amino-4-(4-chlorophenyl)-7-methyl-5-oxo-6-(2-phenylethyl)-4H-pyrano[3,2-c]pyridine-3-carboxylate?
The IUPAC name of methyl (4R)-2-amino-4-(4-chlorophenyl)-7-methyl-5-oxo-6-(2-phenylethyl)-4H-pyrano[3,2-c]pyridine-3-carboxylate (CID 41035447) is methyl (4R)-2-amino-4-(4-chlorophenyl)-7-methyl-5-oxo-6-(2-phenylethyl)-4H-pyrano[3,2-c]pyridine-3-carboxylate.
What is the SMILES notation for methyl (4R)-2-amino-4-(4-chlorophenyl)-7-methyl-5-oxo-6-(2-phenylethyl)-4H-pyrano[3,2-c]pyridine-3-carboxylate?
The canonical SMILES for methyl (4R)-2-amino-4-(4-chlorophenyl)-7-methyl-5-oxo-6-(2-phenylethyl)-4H-pyrano[3,2-c]pyridine-3-carboxylate is COC(=O)C1=C(N)Oc2cc(C)n(CCc3ccccc3)c(=O)c2[C@H]1c1ccc(Cl)cc1.
What is the InChIKey of methyl (4R)-2-amino-4-(4-chlorophenyl)-7-methyl-5-oxo-6-(2-phenylethyl)-4H-pyrano[3,2-c]pyridine-3-carboxylate?
The InChIKey is FCRLCZIVFMGQAD-HXUWFJFHSA-N. The full InChI is InChI=1S/C25H23ClN2O4/c1-15-14-19-21(24(29)28(15)13-12-16-6-4-3-5-7-16)20(17-8-10-18(26)11-9-17)22(23(27)32-19)25(30)31-2/h3-11,14,20H,12-13,27H2,1-2H3/t20-/m1/s1.
What are the key properties of methyl (4R)-2-amino-4-(4-chlorophenyl)-7-methyl-5-oxo-6-(2-phenylethyl)-4H-pyrano[3,2-c]pyridine-3-carboxylate?
methyl (4R)-2-amino-4-(4-chlorophenyl)-7-methyl-5-oxo-6-(2-phenylethyl)-4H-pyrano[3,2-c]pyridine-3-carboxylate has a molecular weight of 450.92 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4R)-2-amino-4-(4-chlorophenyl)-7-methyl-5-oxo-6-(2-phenylethyl)-4H-pyrano[3,2-c]pyridine-3-carboxylate is sourced from PubChem (CID 41035447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).