2-amino-6-[[(4R)-3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl]sulfanyl]-4-(4-methylphenyl)pyridine-3,5-dicarbonitrile

C24H18N6OS — CID 1230572

IUPAC2-amino-6-[[(4R)-3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl]sulfanyl]-4-(4-methylphenyl)pyridine-3,5-dicarbonitrile
SMILESCC1=NN(c2ccccc2)C(=O)[C@@H]1Sc1nc(N)c(C#N)c(-c2ccc(C)cc2)c1C#N
InChIInChI=1S/C24H18N6OS/c1-14-8-10-16(11-9-14)20-18(12-25)22(27)28-23(19(20)13-26)32-21-15(2)29-30(24(21)31)17-6-4-3-5-7-17/h3-11,21H,1-2H3,(H2,27,28)/t21-/m1/s1
InChIKeyZKGUGKVZYQMMRL-OAQYLSRUSA-N
MW438.52 g/mol
LogP4.27
Rot. Bonds4

About 2-amino-6-[[(4R)-3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl]sulfanyl]-4-(4-methylphenyl)pyridine-3,5-dicarbonitrile

2-amino-6-[[(4R)-3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl]sulfanyl]-4-(4-methylphenyl)pyridine-3,5-dicarbonitrile (PubChem CID 1230572) has the molecular formula C24H18N6OS and a molecular weight of 438.52 g/mol. Its IUPAC name is 2-amino-6-[[(4R)-3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl]sulfanyl]-4-(4-methylphenyl)pyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-6-[[(4R)-3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl]sulfanyl]-4-(4-methylphenyl)pyridine-3,5-dicarbonitrile
PubChem CID1230572
Molecular FormulaC24H18N6OS
Molecular Weight438.52 g/mol
Exact Mass438.13
IUPAC Name2-amino-6-[[(4R)-3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl]sulfanyl]-4-(4-methylphenyl)pyridine-3,5-dicarbonitrile
SMILESCC1=NN(c2ccccc2)C(=O)[C@@H]1Sc1nc(N)c(C#N)c(-c2ccc(C)cc2)c1C#N
InChIInChI=1S/C24H18N6OS/c1-14-8-10-16(11-9-14)20-18(12-25)22(27)28-23(19(20)13-26)32-21-15(2)29-30(24(21)31)17-6-4-3-5-7-17/h3-11,21H,1-2H3,(H2,27,28)/t21-/m1/s1
InChIKeyZKGUGKVZYQMMRL-OAQYLSRUSA-N
XLogP4.27
TPSA119.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.52
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_5_D(2)', 'substructure': 'N/A'}

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Related Compounds

2-amino-6-[[(4S)-3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl]sulfanyl]-4-(4-methylphenyl)pyridin-1-ium-3,5-dicarbonitrile
CID 6975081
2-amino-6-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]sulfanyl-4-phenylpyridine-3,5-dicarbonitrile
CID 1230355
2-amino-6-[(3S)-1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl-4-(4-methylphenyl)pyridine-3,5-dicarbonitrile
CID 1022419
2-amino-4-(4-methylphenyl)-6-(4-methylphenyl)sulfanylpyridine-3,5-dicarbonitrile
CID 102234389
2-amino-4-(4-methylphenyl)-6-prop-2-enylsulfanylpyridine-3,5-dicarbonitrile
CID 660824
2-amino-6-[[3-[(4-methylphenyl)sulfonylmethyl]phenyl]methylsulfanyl]-4-phenylpyridine-3,5-dicarbonitrile
CID 58739487
3-[[6-amino-3,5-dicyano-4-(4-methylphenyl)-2-pyridinyl]sulfanyl]-N-(3-methylphenyl)propanamide
CID 23945196
2-[(6-amino-3,5-dicyano-4-phenyl-2-pyridinyl)sulfanyl]-N-(3-methylphenyl)acetamide
CID 1243855
3-[[6-amino-3,5-dicyano-4-(4-methylphenyl)-2-pyridinyl]sulfanyl]-N-(4-chlorophenyl)propanamide
CID 23945166
2-amino-6-[1-(1H-indol-6-yl)-2,5-dioxopyrrolidin-3-yl]sulfanyl-4-phenylpyridine-3,5-dicarbonitrile
CID 19058492
2-[(6-amino-3,5-dicyano-4-phenyl-2-pyridinyl)sulfanyl]-N-phenylacetamide
CID 1285620
2-amino-6-(2,5-dioxo-1-phenylpyrrolidin-3-yl)sulfanyl-4-(furan-2-yl)pyridine-3,5-dicarbonitrile
CID 23916833

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-[[(4R)-3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl]sulfanyl]-4-(4-methylphenyl)pyridine-3,5-dicarbonitrile?
The IUPAC name of 2-amino-6-[[(4R)-3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl]sulfanyl]-4-(4-methylphenyl)pyridine-3,5-dicarbonitrile (CID 1230572) is 2-amino-6-[[(4R)-3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl]sulfanyl]-4-(4-methylphenyl)pyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-6-[[(4R)-3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl]sulfanyl]-4-(4-methylphenyl)pyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-6-[[(4R)-3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl]sulfanyl]-4-(4-methylphenyl)pyridine-3,5-dicarbonitrile is CC1=NN(c2ccccc2)C(=O)[C@@H]1Sc1nc(N)c(C#N)c(-c2ccc(C)cc2)c1C#N.
What is the InChIKey of 2-amino-6-[[(4R)-3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl]sulfanyl]-4-(4-methylphenyl)pyridine-3,5-dicarbonitrile?
The InChIKey is ZKGUGKVZYQMMRL-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H18N6OS/c1-14-8-10-16(11-9-14)20-18(12-25)22(27)28-23(19(20)13-26)32-21-15(2)29-30(24(21)31)17-6-4-3-5-7-17/h3-11,21H,1-2H3,(H2,27,28)/t21-/m1/s1.
What are the key properties of 2-amino-6-[[(4R)-3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl]sulfanyl]-4-(4-methylphenyl)pyridine-3,5-dicarbonitrile?
2-amino-6-[[(4R)-3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl]sulfanyl]-4-(4-methylphenyl)pyridine-3,5-dicarbonitrile has a molecular weight of 438.52 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-[[(4R)-3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl]sulfanyl]-4-(4-methylphenyl)pyridine-3,5-dicarbonitrile is sourced from PubChem (CID 1230572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).