dimethyl 6-amino-5-cyano-1-(3-imidazo[1,2-a]pyridin-2-ylphenyl)-4-phenyl-4H-pyridine-2,3-dicarboxylate

C29H23N5O4 — CID 168643130

IUPACdimethyl 6-amino-5-cyano-1-(3-imidazo[1,2-a]pyridin-2-ylphenyl)-4-phenyl-4H-pyridine-2,3-dicarboxylate
SMILESCOC(=O)C1=C(C(=O)OC)N(c2cccc(-c3cn4ccccc4n3)c2)C(N)=C(C#N)C1c1ccccc1
InChIInChI=1S/C29H23N5O4/c1-37-28(35)25-24(18-9-4-3-5-10-18)21(16-30)27(31)34(26(25)29(36)38-2)20-12-8-11-19(15-20)22-17-33-14-7-6-13-23(33)32-22/h3-15,17,24H,31H2,1-2H3
InChIKeyHZYHPECSMMSLAC-UHFFFAOYSA-N
MW505.53 g/mol
LogP3.90
Rot. Bonds5

About dimethyl 6-amino-5-cyano-1-(3-imidazo[1,2-a]pyridin-2-ylphenyl)-4-phenyl-4H-pyridine-2,3-dicarboxylate

dimethyl 6-amino-5-cyano-1-(3-imidazo[1,2-a]pyridin-2-ylphenyl)-4-phenyl-4H-pyridine-2,3-dicarboxylate (PubChem CID 168643130) has the molecular formula C29H23N5O4 and a molecular weight of 505.53 g/mol. Its IUPAC name is dimethyl 6-amino-5-cyano-1-(3-imidazo[1,2-a]pyridin-2-ylphenyl)-4-phenyl-4H-pyridine-2,3-dicarboxylate.

Molecular Properties

Compound Namedimethyl 6-amino-5-cyano-1-(3-imidazo[1,2-a]pyridin-2-ylphenyl)-4-phenyl-4H-pyridine-2,3-dicarboxylate
PubChem CID168643130
Molecular FormulaC29H23N5O4
Molecular Weight505.53 g/mol
Exact Mass505.18
IUPAC Namedimethyl 6-amino-5-cyano-1-(3-imidazo[1,2-a]pyridin-2-ylphenyl)-4-phenyl-4H-pyridine-2,3-dicarboxylate
SMILESCOC(=O)C1=C(C(=O)OC)N(c2cccc(-c3cn4ccccc4n3)c2)C(N)=C(C#N)C1c1ccccc1
InChIInChI=1S/C29H23N5O4/c1-37-28(35)25-24(18-9-4-3-5-10-18)21(16-30)27(31)34(26(25)29(36)38-2)20-12-8-11-19(15-20)22-17-33-14-7-6-13-23(33)32-22/h3-15,17,24H,31H2,1-2H3
InChIKeyHZYHPECSMMSLAC-UHFFFAOYSA-N
XLogP3.90
TPSA122.95 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.53
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze dimethyl 6-amino-5-cyano-1-(3-imidazo[1,2-a]pyridin-2-ylphenyl)-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-(5-methoxycarbonylfuran-2-yl)phenyl]-4-phenyl-4H-pyridine-2,3-dicarboxylate
CID 168645659
dimethyl 6-amino-5-cyano-1-[3-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]phenyl]-4-phenyl-4H-pyridine-2,3-dicarboxylate
CID 168644703
dimethyl 6-amino-5-cyano-1-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-4-phenyl-4H-pyridine-2,3-dicarboxylate
CID 168644824
dimethyl 1-(3-acetylphenyl)-6-amino-5-cyano-4-phenyl-4H-pyridine-2,3-dicarboxylate
CID 168645874
dimethyl 6-amino-5-cyano-1-[4-(3-methoxycarbonylphenyl)phenyl]-4-phenyl-4H-pyridine-2,3-dicarboxylate
CID 168643329
dimethyl 6-amino-5-cyano-1-(3,4-dichlorophenyl)-4-phenyl-4H-pyridine-2,3-dicarboxylate
CID 168600937
dimethyl 6-amino-5-cyano-1-[3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-4-phenyl-4H-pyridine-2,3-dicarboxylate
CID 168641695
dimethyl 6-amino-5-cyano-1-[3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-4-phenyl-4H-pyridine-2,3-dicarboxylate
CID 168642010
dimethyl 6-amino-5-cyano-1-(4-hydroxy-3,5-diphenylphenyl)-4-phenyl-4H-pyridine-2,3-dicarboxylate
CID 168645089
dimethyl 6-amino-5-cyano-1-[3-(2-methylprop-2-enoxy)phenyl]-4-phenyl-4H-pyridine-2,3-dicarboxylate
CID 168642138
dimethyl 6-amino-1-[3-(benzylcarbamoyl)phenyl]-5-cyano-4-phenyl-4H-pyridine-2,3-dicarboxylate
CID 168644225
dimethyl 6-amino-5-cyano-1-(3,5-diiodophenyl)-4-phenyl-4H-pyridine-2,3-dicarboxylate
CID 168643021

Frequently Asked Questions

What is the IUPAC name of dimethyl 6-amino-5-cyano-1-(3-imidazo[1,2-a]pyridin-2-ylphenyl)-4-phenyl-4H-pyridine-2,3-dicarboxylate?
The IUPAC name of dimethyl 6-amino-5-cyano-1-(3-imidazo[1,2-a]pyridin-2-ylphenyl)-4-phenyl-4H-pyridine-2,3-dicarboxylate (CID 168643130) is dimethyl 6-amino-5-cyano-1-(3-imidazo[1,2-a]pyridin-2-ylphenyl)-4-phenyl-4H-pyridine-2,3-dicarboxylate.
What is the SMILES notation for dimethyl 6-amino-5-cyano-1-(3-imidazo[1,2-a]pyridin-2-ylphenyl)-4-phenyl-4H-pyridine-2,3-dicarboxylate?
The canonical SMILES for dimethyl 6-amino-5-cyano-1-(3-imidazo[1,2-a]pyridin-2-ylphenyl)-4-phenyl-4H-pyridine-2,3-dicarboxylate is COC(=O)C1=C(C(=O)OC)N(c2cccc(-c3cn4ccccc4n3)c2)C(N)=C(C#N)C1c1ccccc1.
What is the InChIKey of dimethyl 6-amino-5-cyano-1-(3-imidazo[1,2-a]pyridin-2-ylphenyl)-4-phenyl-4H-pyridine-2,3-dicarboxylate?
The InChIKey is HZYHPECSMMSLAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23N5O4/c1-37-28(35)25-24(18-9-4-3-5-10-18)21(16-30)27(31)34(26(25)29(36)38-2)20-12-8-11-19(15-20)22-17-33-14-7-6-13-23(33)32-22/h3-15,17,24H,31H2,1-2H3.
What are the key properties of dimethyl 6-amino-5-cyano-1-(3-imidazo[1,2-a]pyridin-2-ylphenyl)-4-phenyl-4H-pyridine-2,3-dicarboxylate?
dimethyl 6-amino-5-cyano-1-(3-imidazo[1,2-a]pyridin-2-ylphenyl)-4-phenyl-4H-pyridine-2,3-dicarboxylate has a molecular weight of 505.53 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 6-amino-5-cyano-1-(3-imidazo[1,2-a]pyridin-2-ylphenyl)-4-phenyl-4H-pyridine-2,3-dicarboxylate is sourced from PubChem (CID 168643130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).