4-[4-(3-cyano-2-methoxy-6-thiophen-2-yl-4-pyridinyl)phenyl]-2-methoxy-6-thiophen-2-ylpyridine-3-carbonitrile

C28H18N4O2S2 — CID 14950544

IUPAC4-[4-(3-cyano-2-methoxy-6-thiophen-2-yl-4-pyridinyl)phenyl]-2-methoxy-6-thiophen-2-ylpyridine-3-carbonitrile
SMILESCOc1nc(-c2cccs2)cc(-c2ccc(-c3cc(-c4cccs4)nc(OC)c3C#N)cc2)c1C#N
InChIInChI=1S/C28H18N4O2S2/c1-33-27-21(15-29)19(13-23(31-27)25-5-3-11-35-25)17-7-9-18(10-8-17)20-14-24(26-6-4-12-36-26)32-28(34-2)22(20)16-30/h3-14H,1-2H3
InChIKeyAUNBMBKAJBHWRW-UHFFFAOYSA-N
MW506.61 g/mol
LogP7.03
Rot. Bonds6

About 4-[4-(3-cyano-2-methoxy-6-thiophen-2-yl-4-pyridinyl)phenyl]-2-methoxy-6-thiophen-2-ylpyridine-3-carbonitrile

4-[4-(3-cyano-2-methoxy-6-thiophen-2-yl-4-pyridinyl)phenyl]-2-methoxy-6-thiophen-2-ylpyridine-3-carbonitrile (PubChem CID 14950544) has the molecular formula C28H18N4O2S2 and a molecular weight of 506.61 g/mol. Its IUPAC name is 4-[4-(3-cyano-2-methoxy-6-thiophen-2-yl-4-pyridinyl)phenyl]-2-methoxy-6-thiophen-2-ylpyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[4-(3-cyano-2-methoxy-6-thiophen-2-yl-4-pyridinyl)phenyl]-2-methoxy-6-thiophen-2-ylpyridine-3-carbonitrile
PubChem CID14950544
Molecular FormulaC28H18N4O2S2
Molecular Weight506.61 g/mol
Exact Mass506.09
IUPAC Name4-[4-(3-cyano-2-methoxy-6-thiophen-2-yl-4-pyridinyl)phenyl]-2-methoxy-6-thiophen-2-ylpyridine-3-carbonitrile
SMILESCOc1nc(-c2cccs2)cc(-c2ccc(-c3cc(-c4cccs4)nc(OC)c3C#N)cc2)c1C#N
InChIInChI=1S/C28H18N4O2S2/c1-33-27-21(15-29)19(13-23(31-27)25-5-3-11-35-25)17-7-9-18(10-8-17)20-14-24(26-6-4-12-36-26)32-28(34-2)22(20)16-30/h3-14H,1-2H3
InChIKeyAUNBMBKAJBHWRW-UHFFFAOYSA-N
XLogP7.03
TPSA91.82 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.61
LogP ≤ 57.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-[4-(3-cyano-2-methoxy-6-thiophen-2-yl-4-pyridinyl)phenyl]-2-methoxy-6-thiophen-2-ylpyridine-3-carbonitrile with MolForge

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Related Compounds

6-(4-bromophenyl)-2-methoxy-4-thiophen-2-ylpyridine-3-carbonitrile
CID 143926979
2-ethoxy-4-(4-fluorophenyl)-6-thiophen-2-ylpyridine-3-carbonitrile
CID 10969383
6-(furan-2-yl)-2-methoxy-4-thiophen-2-ylpyridine-3-carbonitrile
CID 14950530
2-methylsulfinyl-4-phenyl-6-thiophen-2-ylpyridine-3-carbonitrile
CID 893739
2-[[3-cyano-4-(4-methoxyphenyl)-6-thiophen-2-yl-2-pyridinyl]sulfanyl]-2-phenylacetic acid
CID 2962037
4-[4-[3-cyano-6-(furan-2-yl)-2-methoxy-4-pyridinyl]phenyl]-6-(furan-2-yl)-2-methoxypyridine-3-carbonitrile
CID 14950543
methyl 2-[[4-(4-chlorophenyl)-3-cyano-6-thiophen-2-yl-2-pyridinyl]sulfanyl]acetate
CID 1035693
4-(4-tert-butylphenyl)-6-thiophen-2-yl-2-(thiophen-2-ylmethylsulfanyl)pyridine-3-carbonitrile
CID 3820214
6-azulen-1-yl-2-methoxy-4-(4-methylphenyl)pyridine-3-carbonitrile
CID 10641600
ethyl 2-[(3-cyano-4-phenyl-6-thiophen-2-yl-2-pyridinyl)oxy]-2-phenylacetate
CID 143568553
2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylsulfanyl)-4-(4-methoxyphenyl)-6-thiophen-2-ylpyridine-3-carbonitrile
CID 1284159
6-(2-fluorophenyl)-2-methoxy-4-(4-methylphenyl)pyridine-3-carbonitrile
CID 165017250

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-cyano-2-methoxy-6-thiophen-2-yl-4-pyridinyl)phenyl]-2-methoxy-6-thiophen-2-ylpyridine-3-carbonitrile?
The IUPAC name of 4-[4-(3-cyano-2-methoxy-6-thiophen-2-yl-4-pyridinyl)phenyl]-2-methoxy-6-thiophen-2-ylpyridine-3-carbonitrile (CID 14950544) is 4-[4-(3-cyano-2-methoxy-6-thiophen-2-yl-4-pyridinyl)phenyl]-2-methoxy-6-thiophen-2-ylpyridine-3-carbonitrile.
What is the SMILES notation for 4-[4-(3-cyano-2-methoxy-6-thiophen-2-yl-4-pyridinyl)phenyl]-2-methoxy-6-thiophen-2-ylpyridine-3-carbonitrile?
The canonical SMILES for 4-[4-(3-cyano-2-methoxy-6-thiophen-2-yl-4-pyridinyl)phenyl]-2-methoxy-6-thiophen-2-ylpyridine-3-carbonitrile is COc1nc(-c2cccs2)cc(-c2ccc(-c3cc(-c4cccs4)nc(OC)c3C#N)cc2)c1C#N.
What is the InChIKey of 4-[4-(3-cyano-2-methoxy-6-thiophen-2-yl-4-pyridinyl)phenyl]-2-methoxy-6-thiophen-2-ylpyridine-3-carbonitrile?
The InChIKey is AUNBMBKAJBHWRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H18N4O2S2/c1-33-27-21(15-29)19(13-23(31-27)25-5-3-11-35-25)17-7-9-18(10-8-17)20-14-24(26-6-4-12-36-26)32-28(34-2)22(20)16-30/h3-14H,1-2H3.
What are the key properties of 4-[4-(3-cyano-2-methoxy-6-thiophen-2-yl-4-pyridinyl)phenyl]-2-methoxy-6-thiophen-2-ylpyridine-3-carbonitrile?
4-[4-(3-cyano-2-methoxy-6-thiophen-2-yl-4-pyridinyl)phenyl]-2-methoxy-6-thiophen-2-ylpyridine-3-carbonitrile has a molecular weight of 506.61 g/mol, XLogP of 7.03, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-cyano-2-methoxy-6-thiophen-2-yl-4-pyridinyl)phenyl]-2-methoxy-6-thiophen-2-ylpyridine-3-carbonitrile is sourced from PubChem (CID 14950544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).