methyl 2-amino-4-(2-chlorophenyl)-6-(3-imidazol-1-ylpropyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carboxylate

C23H23ClN4O4 — CID 665874

IUPACmethyl 2-amino-4-(2-chlorophenyl)-6-(3-imidazol-1-ylpropyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carboxylate
SMILESCOC(=O)C1=C(N)Oc2cc(C)n(CCCn3ccnc3)c(=O)c2C1c1ccccc1Cl
InChIInChI=1S/C23H23ClN4O4/c1-14-12-17-19(22(29)28(14)10-5-9-27-11-8-26-13-27)18(15-6-3-4-7-16(15)24)20(21(25)32-17)23(30)31-2/h3-4,6-8,11-13,18H,5,9-10,25H2,1-2H3
InChIKeyNTGCOKQQHNFANS-UHFFFAOYSA-N
MW454.91 g/mol
LogP2.96
Rot. Bonds6

About methyl 2-amino-4-(2-chlorophenyl)-6-(3-imidazol-1-ylpropyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carboxylate

methyl 2-amino-4-(2-chlorophenyl)-6-(3-imidazol-1-ylpropyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carboxylate (PubChem CID 665874) has the molecular formula C23H23ClN4O4 and a molecular weight of 454.91 g/mol. Its IUPAC name is methyl 2-amino-4-(2-chlorophenyl)-6-(3-imidazol-1-ylpropyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-amino-4-(2-chlorophenyl)-6-(3-imidazol-1-ylpropyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carboxylate
PubChem CID665874
Molecular FormulaC23H23ClN4O4
Molecular Weight454.91 g/mol
Exact Mass454.14
IUPAC Namemethyl 2-amino-4-(2-chlorophenyl)-6-(3-imidazol-1-ylpropyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carboxylate
SMILESCOC(=O)C1=C(N)Oc2cc(C)n(CCCn3ccnc3)c(=O)c2C1c1ccccc1Cl
InChIInChI=1S/C23H23ClN4O4/c1-14-12-17-19(22(29)28(14)10-5-9-27-11-8-26-13-27)18(15-6-3-4-7-16(15)24)20(21(25)32-17)23(30)31-2/h3-4,6-8,11-13,18H,5,9-10,25H2,1-2H3
InChIKeyNTGCOKQQHNFANS-UHFFFAOYSA-N
XLogP2.96
TPSA101.37 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.91
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze methyl 2-amino-4-(2-chlorophenyl)-6-(3-imidazol-1-ylpropyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

methyl (4S)-2-amino-4-(2-chlorophenyl)-6-(3-imidazol-1-ylpropyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carboxylate
CID 7011974
methyl 2-amino-4-(2-chlorophenyl)-6-(2-hydroxyethyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carboxylate
CID 23475527
methyl 2-amino-4-(2-chlorophenyl)-6-(2-methoxyethyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carboxylate
CID 16833129
2-[(4S)-2-amino-4-(2-fluorophenyl)-3-methoxycarbonyl-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridin-6-yl]ethyl-dimethylazanium
CID 7287367
methyl (4R)-2-amino-4-(2,4-dichlorophenyl)-6-ethyl-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carboxylate
CID 7287322
methyl 2-amino-6-benzyl-7-methyl-5-oxo-4-pyridin-4-yl-4H-pyrano[3,2-c]pyridine-3-carboxylate
CID 3281146
methyl (4S)-2-amino-6-(2-hydroxyethyl)-7-methyl-5-oxo-4-pyridin-3-yl-4H-pyrano[3,2-c]pyridine-3-carboxylate
CID 7179576
methyl (4S)-2-amino-4-(2-fluorophenyl)-7-methyl-5-oxo-6-(pyridin-3-ylmethyl)-4H-pyrano[3,2-c]pyridine-3-carboxylate
CID 41184643
methyl (4R)-2-amino-4-(4-chlorophenyl)-7-methyl-5-oxo-6-(2-phenylethyl)-4H-pyrano[3,2-c]pyridine-3-carboxylate
CID 41035447
methyl (4R)-2-amino-7-methyl-5-oxo-4-phenyl-6-(2-phenylethyl)-4H-pyrano[3,2-c]pyridine-3-carboxylate
CID 7056332
methyl (4S)-2-amino-4-(3,4-dichlorophenyl)-7-methyl-5-oxo-6-(pyridin-2-ylmethyl)-4H-pyrano[3,2-c]pyridine-3-carboxylate
CID 41080235
methyl 2-amino-4-(2-methoxyphenyl)-6,7-dimethyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carboxylate
CID 5172147

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-4-(2-chlorophenyl)-6-(3-imidazol-1-ylpropyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carboxylate?
The IUPAC name of methyl 2-amino-4-(2-chlorophenyl)-6-(3-imidazol-1-ylpropyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carboxylate (CID 665874) is methyl 2-amino-4-(2-chlorophenyl)-6-(3-imidazol-1-ylpropyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-amino-4-(2-chlorophenyl)-6-(3-imidazol-1-ylpropyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carboxylate?
The canonical SMILES for methyl 2-amino-4-(2-chlorophenyl)-6-(3-imidazol-1-ylpropyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carboxylate is COC(=O)C1=C(N)Oc2cc(C)n(CCCn3ccnc3)c(=O)c2C1c1ccccc1Cl.
What is the InChIKey of methyl 2-amino-4-(2-chlorophenyl)-6-(3-imidazol-1-ylpropyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carboxylate?
The InChIKey is NTGCOKQQHNFANS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN4O4/c1-14-12-17-19(22(29)28(14)10-5-9-27-11-8-26-13-27)18(15-6-3-4-7-16(15)24)20(21(25)32-17)23(30)31-2/h3-4,6-8,11-13,18H,5,9-10,25H2,1-2H3.
What are the key properties of methyl 2-amino-4-(2-chlorophenyl)-6-(3-imidazol-1-ylpropyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carboxylate?
methyl 2-amino-4-(2-chlorophenyl)-6-(3-imidazol-1-ylpropyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carboxylate has a molecular weight of 454.91 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-4-(2-chlorophenyl)-6-(3-imidazol-1-ylpropyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carboxylate is sourced from PubChem (CID 665874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).