4-[5-[6-(4-methylpiperazin-1-yl)naphthalen-2-yl]thiophen-2-yl]-1,2-dihydropyridine-3-carbonitrile

C25H24N4S — CID 144927855

IUPAC4-[5-[6-(4-methylpiperazin-1-yl)naphthalen-2-yl]thiophen-2-yl]-1,2-dihydropyridine-3-carbonitrile
SMILESCN1CCN(c2ccc3cc(-c4ccc(C5=C(C#N)CNC=C5)s4)ccc3c2)CC1
InChIInChI=1S/C25H24N4S/c1-28-10-12-29(13-11-28)22-5-4-18-14-20(3-2-19(18)15-22)24-6-7-25(30-24)23-8-9-27-17-21(23)16-26/h2-9,14-15,27H,10-13,17H2,1H3
InChIKeyGLEOUDJNPRQCOX-UHFFFAOYSA-N
MW412.56 g/mol
LogP4.71
Rot. Bonds3

About 4-[5-[6-(4-methylpiperazin-1-yl)naphthalen-2-yl]thiophen-2-yl]-1,2-dihydropyridine-3-carbonitrile

4-[5-[6-(4-methylpiperazin-1-yl)naphthalen-2-yl]thiophen-2-yl]-1,2-dihydropyridine-3-carbonitrile (PubChem CID 144927855) has the molecular formula C25H24N4S and a molecular weight of 412.56 g/mol. Its IUPAC name is 4-[5-[6-(4-methylpiperazin-1-yl)naphthalen-2-yl]thiophen-2-yl]-1,2-dihydropyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[5-[6-(4-methylpiperazin-1-yl)naphthalen-2-yl]thiophen-2-yl]-1,2-dihydropyridine-3-carbonitrile
PubChem CID144927855
Molecular FormulaC25H24N4S
Molecular Weight412.56 g/mol
Exact Mass412.17
IUPAC Name4-[5-[6-(4-methylpiperazin-1-yl)naphthalen-2-yl]thiophen-2-yl]-1,2-dihydropyridine-3-carbonitrile
SMILESCN1CCN(c2ccc3cc(-c4ccc(C5=C(C#N)CNC=C5)s4)ccc3c2)CC1
InChIInChI=1S/C25H24N4S/c1-28-10-12-29(13-11-28)22-5-4-18-14-20(3-2-19(18)15-22)24-6-7-25(30-24)23-8-9-27-17-21(23)16-26/h2-9,14-15,27H,10-13,17H2,1H3
InChIKeyGLEOUDJNPRQCOX-UHFFFAOYSA-N
XLogP4.71
TPSA42.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.56
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[5-[6-(4-methylpiperazin-1-yl)naphthalen-2-yl]thiophen-2-yl]-1,2-dihydropyridine-3-carbonitrile with MolForge

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Related Compounds

1-methyl-4-[5-(6-piperidin-1-ylnaphthalen-2-yl)thiophen-2-yl]-2H-pyridine-3-carbonitrile
CID 144927700
ethane;1-methyl-4-[5-(6-piperidin-1-ylnaphthalen-2-yl)thiophen-2-yl]-2H-pyridine-3-carbonitrile
CID 144927699
ethane;1-methyl-4-[5-(6-morpholin-4-ylnaphthalen-2-yl)thiophen-2-yl]-2H-pyridine-3-carbonitrile
CID 144927816
2-cyano-3-[5-[6-(4-methylpiperazin-1-yl)naphthalen-2-yl]thiophen-2-yl]prop-2-enamide
CID 123178883
1-methyl-4-[1-methyl-5-[6-(4-methylpiperazin-1-yl)naphthalen-2-yl]pyrrol-2-yl]-2H-pyridine-3-carbonitrile
CID 145041444
ethane;1-methyl-4-[5-[6-(4-methylpiperazin-1-yl)naphthalen-2-yl]furan-2-yl]-2H-pyridine-3-carbonitrile
CID 156709072
4-(4-methylpiperazin-1-yl)benzene-1,2-dicarbonitrile
CID 21029583
ethane;4-[5-(6-morpholin-4-ylnaphthalen-2-yl)thiophen-2-yl]pyridine-3-carbonitrile
CID 145041366
ethane;1-methyl-4-[5-(6-piperidin-1-ylnaphthalen-2-yl)furan-2-yl]-2H-pyridine-3-carbonitrile
CID 145041483
(E)-1-cyano-2-[5-[6-(4-methylpiperazin-1-yl)naphthalen-2-yl]thiophen-2-yl]-N-[(4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]ethenesulfonamide
CID 145041353
4-(4-methylpiperazin-1-yl)benzonitrile
CID 763205
CID 59943453
CID 59943453

Frequently Asked Questions

What is the IUPAC name of 4-[5-[6-(4-methylpiperazin-1-yl)naphthalen-2-yl]thiophen-2-yl]-1,2-dihydropyridine-3-carbonitrile?
The IUPAC name of 4-[5-[6-(4-methylpiperazin-1-yl)naphthalen-2-yl]thiophen-2-yl]-1,2-dihydropyridine-3-carbonitrile (CID 144927855) is 4-[5-[6-(4-methylpiperazin-1-yl)naphthalen-2-yl]thiophen-2-yl]-1,2-dihydropyridine-3-carbonitrile.
What is the SMILES notation for 4-[5-[6-(4-methylpiperazin-1-yl)naphthalen-2-yl]thiophen-2-yl]-1,2-dihydropyridine-3-carbonitrile?
The canonical SMILES for 4-[5-[6-(4-methylpiperazin-1-yl)naphthalen-2-yl]thiophen-2-yl]-1,2-dihydropyridine-3-carbonitrile is CN1CCN(c2ccc3cc(-c4ccc(C5=C(C#N)CNC=C5)s4)ccc3c2)CC1.
What is the InChIKey of 4-[5-[6-(4-methylpiperazin-1-yl)naphthalen-2-yl]thiophen-2-yl]-1,2-dihydropyridine-3-carbonitrile?
The InChIKey is GLEOUDJNPRQCOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4S/c1-28-10-12-29(13-11-28)22-5-4-18-14-20(3-2-19(18)15-22)24-6-7-25(30-24)23-8-9-27-17-21(23)16-26/h2-9,14-15,27H,10-13,17H2,1H3.
What are the key properties of 4-[5-[6-(4-methylpiperazin-1-yl)naphthalen-2-yl]thiophen-2-yl]-1,2-dihydropyridine-3-carbonitrile?
4-[5-[6-(4-methylpiperazin-1-yl)naphthalen-2-yl]thiophen-2-yl]-1,2-dihydropyridine-3-carbonitrile has a molecular weight of 412.56 g/mol, XLogP of 4.71, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[6-(4-methylpiperazin-1-yl)naphthalen-2-yl]thiophen-2-yl]-1,2-dihydropyridine-3-carbonitrile is sourced from PubChem (CID 144927855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).