methyl 4-(4-fluorophenyl)-2-imino-7-methyl-5-oxo-6H-pyrano[3,2-c]pyridine-3-carboxylate

C17H13FN2O4 — CID 137257805

IUPACmethyl 4-(4-fluorophenyl)-2-imino-7-methyl-5-oxo-6H-pyrano[3,2-c]pyridine-3-carboxylate
SMILES[H]/N=c1\oc2cc(C)[nH]c(=O)c2c(-c2ccc(F)cc2)c1C(=O)OC
InChIInChI=1S/C17H13FN2O4/c1-8-7-11-13(16(21)20-8)12(9-3-5-10(18)6-4-9)14(15(19)24-11)17(22)23-2/h3-7,19H,1-2H3,(H,20,21)/b19-15-
InChIKeyAKSIXZQKXUQSBD-CYVLTUHYSA-N
MW328.30 g/mol
LogP2.50
Rot. Bonds2

About methyl 4-(4-fluorophenyl)-2-imino-7-methyl-5-oxo-6H-pyrano[3,2-c]pyridine-3-carboxylate

methyl 4-(4-fluorophenyl)-2-imino-7-methyl-5-oxo-6H-pyrano[3,2-c]pyridine-3-carboxylate (PubChem CID 137257805) has the molecular formula C17H13FN2O4 and a molecular weight of 328.30 g/mol. Its IUPAC name is methyl 4-(4-fluorophenyl)-2-imino-7-methyl-5-oxo-6H-pyrano[3,2-c]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-(4-fluorophenyl)-2-imino-7-methyl-5-oxo-6H-pyrano[3,2-c]pyridine-3-carboxylate
PubChem CID137257805
Molecular FormulaC17H13FN2O4
Molecular Weight328.30 g/mol
Exact Mass328.09
IUPAC Namemethyl 4-(4-fluorophenyl)-2-imino-7-methyl-5-oxo-6H-pyrano[3,2-c]pyridine-3-carboxylate
SMILES[H]/N=c1\oc2cc(C)[nH]c(=O)c2c(-c2ccc(F)cc2)c1C(=O)OC
InChIInChI=1S/C17H13FN2O4/c1-8-7-11-13(16(21)20-8)12(9-3-5-10(18)6-4-9)14(15(19)24-11)17(22)23-2/h3-7,19H,1-2H3,(H,20,21)/b19-15-
InChIKeyAKSIXZQKXUQSBD-CYVLTUHYSA-N
XLogP2.50
TPSA96.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.30
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 4-(4-fluorophenyl)-2-imino-7-methyl-5-oxo-6H-pyrano[3,2-c]pyridine-3-carboxylate 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

4-[(2-fluorophenyl)methyl]-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione
CID 58187491
4-[(3-fluorophenyl)methyl]-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione
CID 58187598
4-[(2-fluorophenyl)methyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58317164
4-[(3-fluorophenyl)methyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58317169
4-(3-fluorophenyl)-2-imino-7-methyl-5-oxo-6H-pyrano[3,2-c]pyridine-3-carbonitrile
CID 137259025
4-(4-fluorophenyl)-2-imino-7-methyl-5-oxo-6H-pyrano[3,2-c]pyridine-3-carbonitrile
CID 137267851
4-(2-fluorophenyl)-2-imino-7-methyl-5-oxo-6H-pyrano[3,2-c]pyridine-3-carbonitrile
CID 137294235
4-benzyl-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione
CID 58187432
methyl 2-imino-7-methyl-5-oxo-4-phenyl-6H-pyrano[3,2-c]pyridine-3-carboxylate
CID 137257798
methyl 4-(3-chlorophenyl)-2-imino-7-methyl-5-oxo-6H-pyrano[3,2-c]pyridine-3-carboxylate
CID 137257799
methyl 4-(2-chlorophenyl)-2-imino-7-methyl-5-oxo-6H-pyrano[3,2-c]pyridine-3-carboxylate
CID 137257803
methyl 4-(4-chlorophenyl)-2-imino-7-methyl-5-oxo-6H-pyrano[3,2-c]pyridine-3-carboxylate
CID 137268804

Frequently Asked Questions

What is the IUPAC name of methyl 4-(4-fluorophenyl)-2-imino-7-methyl-5-oxo-6H-pyrano[3,2-c]pyridine-3-carboxylate?
The IUPAC name of methyl 4-(4-fluorophenyl)-2-imino-7-methyl-5-oxo-6H-pyrano[3,2-c]pyridine-3-carboxylate (CID 137257805) is methyl 4-(4-fluorophenyl)-2-imino-7-methyl-5-oxo-6H-pyrano[3,2-c]pyridine-3-carboxylate.
What is the SMILES notation for methyl 4-(4-fluorophenyl)-2-imino-7-methyl-5-oxo-6H-pyrano[3,2-c]pyridine-3-carboxylate?
The canonical SMILES for methyl 4-(4-fluorophenyl)-2-imino-7-methyl-5-oxo-6H-pyrano[3,2-c]pyridine-3-carboxylate is [H]/N=c1\oc2cc(C)[nH]c(=O)c2c(-c2ccc(F)cc2)c1C(=O)OC.
What is the InChIKey of methyl 4-(4-fluorophenyl)-2-imino-7-methyl-5-oxo-6H-pyrano[3,2-c]pyridine-3-carboxylate?
The InChIKey is AKSIXZQKXUQSBD-CYVLTUHYSA-N. The full InChI is InChI=1S/C17H13FN2O4/c1-8-7-11-13(16(21)20-8)12(9-3-5-10(18)6-4-9)14(15(19)24-11)17(22)23-2/h3-7,19H,1-2H3,(H,20,21)/b19-15-.
What are the key properties of methyl 4-(4-fluorophenyl)-2-imino-7-methyl-5-oxo-6H-pyrano[3,2-c]pyridine-3-carboxylate?
methyl 4-(4-fluorophenyl)-2-imino-7-methyl-5-oxo-6H-pyrano[3,2-c]pyridine-3-carboxylate has a molecular weight of 328.30 g/mol, XLogP of 2.50, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(4-fluorophenyl)-2-imino-7-methyl-5-oxo-6H-pyrano[3,2-c]pyridine-3-carboxylate is sourced from PubChem (CID 137257805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).