dimethyl 6-amino-5-cyano-1-(1-ethyl-2-oxo-3H-indol-5-yl)-4-phenyl-4H-pyridine-2,3-dicarboxylate

C26H24N4O5 — CID 168643027

IUPACdimethyl 6-amino-5-cyano-1-(1-ethyl-2-oxo-3H-indol-5-yl)-4-phenyl-4H-pyridine-2,3-dicarboxylate
SMILESCCN1C(=O)Cc2cc(N3C(N)=C(C#N)C(c4ccccc4)C(C(=O)OC)=C3C(=O)OC)ccc21
InChIInChI=1S/C26H24N4O5/c1-4-29-19-11-10-17(12-16(19)13-20(29)31)30-23(26(33)35-3)22(25(32)34-2)21(18(14-27)24(30)28)15-8-6-5-7-9-15/h5-12,21H,4,13,28H2,1-3H3
InChIKeySSJJYOYCOHIETC-UHFFFAOYSA-N
MW472.50 g/mol
LogP2.49
Rot. Bonds5

About dimethyl 6-amino-5-cyano-1-(1-ethyl-2-oxo-3H-indol-5-yl)-4-phenyl-4H-pyridine-2,3-dicarboxylate

dimethyl 6-amino-5-cyano-1-(1-ethyl-2-oxo-3H-indol-5-yl)-4-phenyl-4H-pyridine-2,3-dicarboxylate (PubChem CID 168643027) has the molecular formula C26H24N4O5 and a molecular weight of 472.50 g/mol. Its IUPAC name is dimethyl 6-amino-5-cyano-1-(1-ethyl-2-oxo-3H-indol-5-yl)-4-phenyl-4H-pyridine-2,3-dicarboxylate.

Molecular Properties

Compound Namedimethyl 6-amino-5-cyano-1-(1-ethyl-2-oxo-3H-indol-5-yl)-4-phenyl-4H-pyridine-2,3-dicarboxylate
PubChem CID168643027
Molecular FormulaC26H24N4O5
Molecular Weight472.50 g/mol
Exact Mass472.17
IUPAC Namedimethyl 6-amino-5-cyano-1-(1-ethyl-2-oxo-3H-indol-5-yl)-4-phenyl-4H-pyridine-2,3-dicarboxylate
SMILESCCN1C(=O)Cc2cc(N3C(N)=C(C#N)C(c4ccccc4)C(C(=O)OC)=C3C(=O)OC)ccc21
InChIInChI=1S/C26H24N4O5/c1-4-29-19-11-10-17(12-16(19)13-20(29)31)30-23(26(33)35-3)22(25(32)34-2)21(18(14-27)24(30)28)15-8-6-5-7-9-15/h5-12,21H,4,13,28H2,1-3H3
InChIKeySSJJYOYCOHIETC-UHFFFAOYSA-N
XLogP2.49
TPSA125.96 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.50
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze dimethyl 6-amino-5-cyano-1-(1-ethyl-2-oxo-3H-indol-5-yl)-4-phenyl-4H-pyridine-2,3-dicarboxylate with MolForge

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Launch Full Analysis

Related Compounds

dimethyl 6-amino-5-cyano-1-(3-oxo-2,4-dihydro-1H-isoquinolin-7-yl)-4-phenyl-4H-pyridine-2,3-dicarboxylate
CID 168644162
dimethyl 6-amino-5-cyano-1-(3,4-dichlorophenyl)-4-phenyl-4H-pyridine-2,3-dicarboxylate
CID 168600937
dimethyl 6-amino-5-cyano-4-phenyl-1-[4-(4-phenylphenyl)phenyl]-4H-pyridine-2,3-dicarboxylate
CID 168641655
dimethyl 6-amino-5-cyano-1-(3-cyano-4-methylphenyl)-4-phenyl-4H-pyridine-2,3-dicarboxylate
CID 168641109
dimethyl 6-amino-1-(4-chloro-3-methoxycarbonylphenyl)-5-cyano-4-phenyl-4H-pyridine-2,3-dicarboxylate
CID 168641260
dimethyl 1-(3-acetylphenyl)-6-amino-5-cyano-4-phenyl-4H-pyridine-2,3-dicarboxylate
CID 168645874
dimethyl 6-amino-5-cyano-1-(4-ethoxy-3-fluorophenyl)-4-phenyl-4H-pyridine-2,3-dicarboxylate
CID 168642942
[4-[2-amino-3-cyano-5,6-bis(methoxycarbonyl)-4-phenyl-4H-pyridin-1-yl]phenyl]boronic acid
CID 168641208
dimethyl 1-(4-acetamidophenyl)-6-amino-5-cyano-4-phenyl-4H-pyridine-2,3-dicarboxylate
CID 168641372
dimethyl 1-(2-acetyl-3,4-dihydro-1H-isoquinolin-7-yl)-6-amino-5-cyano-4-phenyl-4H-pyridine-2,3-dicarboxylate
CID 168644307
dimethyl 6-amino-5-cyano-1-(2-ethylphenyl)-4-phenyl-4H-pyridine-2,3-dicarboxylate
CID 168643443
dimethyl 6-amino-5-cyano-1-[4-(4-methylpiperazin-1-yl)phenyl]-4-phenyl-4H-pyridine-2,3-dicarboxylate
CID 168641225

Frequently Asked Questions

What is the IUPAC name of dimethyl 6-amino-5-cyano-1-(1-ethyl-2-oxo-3H-indol-5-yl)-4-phenyl-4H-pyridine-2,3-dicarboxylate?
The IUPAC name of dimethyl 6-amino-5-cyano-1-(1-ethyl-2-oxo-3H-indol-5-yl)-4-phenyl-4H-pyridine-2,3-dicarboxylate (CID 168643027) is dimethyl 6-amino-5-cyano-1-(1-ethyl-2-oxo-3H-indol-5-yl)-4-phenyl-4H-pyridine-2,3-dicarboxylate.
What is the SMILES notation for dimethyl 6-amino-5-cyano-1-(1-ethyl-2-oxo-3H-indol-5-yl)-4-phenyl-4H-pyridine-2,3-dicarboxylate?
The canonical SMILES for dimethyl 6-amino-5-cyano-1-(1-ethyl-2-oxo-3H-indol-5-yl)-4-phenyl-4H-pyridine-2,3-dicarboxylate is CCN1C(=O)Cc2cc(N3C(N)=C(C#N)C(c4ccccc4)C(C(=O)OC)=C3C(=O)OC)ccc21.
What is the InChIKey of dimethyl 6-amino-5-cyano-1-(1-ethyl-2-oxo-3H-indol-5-yl)-4-phenyl-4H-pyridine-2,3-dicarboxylate?
The InChIKey is SSJJYOYCOHIETC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O5/c1-4-29-19-11-10-17(12-16(19)13-20(29)31)30-23(26(33)35-3)22(25(32)34-2)21(18(14-27)24(30)28)15-8-6-5-7-9-15/h5-12,21H,4,13,28H2,1-3H3.
What are the key properties of dimethyl 6-amino-5-cyano-1-(1-ethyl-2-oxo-3H-indol-5-yl)-4-phenyl-4H-pyridine-2,3-dicarboxylate?
dimethyl 6-amino-5-cyano-1-(1-ethyl-2-oxo-3H-indol-5-yl)-4-phenyl-4H-pyridine-2,3-dicarboxylate has a molecular weight of 472.50 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 6-amino-5-cyano-1-(1-ethyl-2-oxo-3H-indol-5-yl)-4-phenyl-4H-pyridine-2,3-dicarboxylate is sourced from PubChem (CID 168643027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).