dimethyl 6-amino-5-cyano-1-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-4-phenyl-4H-pyridine-2,3-dicarboxylate

C25H23N5O4 — CID 168642176

IUPACdimethyl 6-amino-5-cyano-1-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-4-phenyl-4H-pyridine-2,3-dicarboxylate
SMILESCOC(=O)C1=C(C(=O)OC)N(c2cccc(C3=NCCN3)c2)C(N)=C(C#N)C1c1ccccc1
InChIInChI=1S/C25H23N5O4/c1-33-24(31)20-19(15-7-4-3-5-8-15)18(14-26)22(27)30(21(20)25(32)34-2)17-10-6-9-16(13-17)23-28-11-12-29-23/h3-10,13,19H,11-12,27H2,1-2H3,(H,28,29)
InChIKeyDHADHOVNFMEISD-UHFFFAOYSA-N
MW457.49 g/mol
LogP1.93
Rot. Bonds5

About dimethyl 6-amino-5-cyano-1-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-4-phenyl-4H-pyridine-2,3-dicarboxylate

dimethyl 6-amino-5-cyano-1-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-4-phenyl-4H-pyridine-2,3-dicarboxylate (PubChem CID 168642176) has the molecular formula C25H23N5O4 and a molecular weight of 457.49 g/mol. Its IUPAC name is dimethyl 6-amino-5-cyano-1-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-4-phenyl-4H-pyridine-2,3-dicarboxylate.

Molecular Properties

Compound Namedimethyl 6-amino-5-cyano-1-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-4-phenyl-4H-pyridine-2,3-dicarboxylate
PubChem CID168642176
Molecular FormulaC25H23N5O4
Molecular Weight457.49 g/mol
Exact Mass457.18
IUPAC Namedimethyl 6-amino-5-cyano-1-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-4-phenyl-4H-pyridine-2,3-dicarboxylate
SMILESCOC(=O)C1=C(C(=O)OC)N(c2cccc(C3=NCCN3)c2)C(N)=C(C#N)C1c1ccccc1
InChIInChI=1S/C25H23N5O4/c1-33-24(31)20-19(15-7-4-3-5-8-15)18(14-26)22(27)30(21(20)25(32)34-2)17-10-6-9-16(13-17)23-28-11-12-29-23/h3-10,13,19H,11-12,27H2,1-2H3,(H,28,29)
InChIKeyDHADHOVNFMEISD-UHFFFAOYSA-N
XLogP1.93
TPSA130.04 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.49
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze dimethyl 6-amino-5-cyano-1-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-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-1-(3-bromophenyl)-5-cyano-4-phenyl-4H-pyridine-2,3-dicarboxylate
CID 168600942
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 6-amino-5-cyano-4-phenyl-1-[4-(4-phenylphenyl)phenyl]-4H-pyridine-2,3-dicarboxylate
CID 168641655
dimethyl 1-(3-acetylphenyl)-6-amino-5-cyano-4-phenyl-4H-pyridine-2,3-dicarboxylate
CID 168645874
dimethyl 6-amino-5-cyano-1-[3-(2,4-dimethoxyphenyl)phenyl]-4-phenyl-4H-pyridine-2,3-dicarboxylate
CID 168644387
dimethyl 6-amino-5-cyano-1-(3-imidazo[1,2-a]pyridin-2-ylphenyl)-4-phenyl-4H-pyridine-2,3-dicarboxylate
CID 168643130
dimethyl 6-amino-5-cyano-1-[3-(cyclopropanecarbonylamino)phenyl]-4-phenyl-4H-pyridine-2,3-dicarboxylate
CID 168641851
dimethyl 6-amino-5-cyano-1-(3,4-dichlorophenyl)-4-phenyl-4H-pyridine-2,3-dicarboxylate
CID 168600937
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-[4-(3-methoxycarbonylphenyl)phenyl]-4-phenyl-4H-pyridine-2,3-dicarboxylate
CID 168643329
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

Frequently Asked Questions

What is the IUPAC name of dimethyl 6-amino-5-cyano-1-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-4-phenyl-4H-pyridine-2,3-dicarboxylate?
The IUPAC name of dimethyl 6-amino-5-cyano-1-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-4-phenyl-4H-pyridine-2,3-dicarboxylate (CID 168642176) is dimethyl 6-amino-5-cyano-1-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-4-phenyl-4H-pyridine-2,3-dicarboxylate.
What is the SMILES notation for dimethyl 6-amino-5-cyano-1-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-4-phenyl-4H-pyridine-2,3-dicarboxylate?
The canonical SMILES for dimethyl 6-amino-5-cyano-1-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-4-phenyl-4H-pyridine-2,3-dicarboxylate is COC(=O)C1=C(C(=O)OC)N(c2cccc(C3=NCCN3)c2)C(N)=C(C#N)C1c1ccccc1.
What is the InChIKey of dimethyl 6-amino-5-cyano-1-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-4-phenyl-4H-pyridine-2,3-dicarboxylate?
The InChIKey is DHADHOVNFMEISD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O4/c1-33-24(31)20-19(15-7-4-3-5-8-15)18(14-26)22(27)30(21(20)25(32)34-2)17-10-6-9-16(13-17)23-28-11-12-29-23/h3-10,13,19H,11-12,27H2,1-2H3,(H,28,29).
What are the key properties of dimethyl 6-amino-5-cyano-1-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-4-phenyl-4H-pyridine-2,3-dicarboxylate?
dimethyl 6-amino-5-cyano-1-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-4-phenyl-4H-pyridine-2,3-dicarboxylate has a molecular weight of 457.49 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 6-amino-5-cyano-1-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-4-phenyl-4H-pyridine-2,3-dicarboxylate is sourced from PubChem (CID 168642176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).