4-chloro-6-(4-methylphenyl)-2-(4-phenoxyphenyl)pyridine-3-carbonitrile;6-(4-methylphenyl)-4-(4-phenoxyphenyl)-1H-pyrazolo[4,3-c]pyridin-3-amine

C50H37ClN6O2 — CID 159195536

IUPAC4-chloro-6-(4-methylphenyl)-2-(4-phenoxyphenyl)pyridine-3-carbonitrile;6-(4-methylphenyl)-4-(4-phenoxyphenyl)-1H-pyrazolo[4,3-c]pyridin-3-amine
SMILESCc1ccc(-c2cc(Cl)c(C#N)c(-c3ccc(Oc4ccccc4)cc3)n2)cc1.Cc1ccc(-c2cc3[nH]nc(N)c3c(-c3ccc(Oc4ccccc4)cc3)n2)cc1
InChIInChI=1S/C25H17ClN2O.C25H20N4O/c1-17-7-9-18(10-8-17)24-15-23(26)22(16-27)25(28-24)19-11-13-21(14-12-19)29-20-5-3-2-4-6-20;1-16-7-9-17(10-8-16)21-15-22-23(25(26)29-28-22)24(27-21)18-11-13-20(14-12-18)30-19-5-3-2-4-6-19/h2-15H,1H3;2-15H,1H3,(H3,26,28,29)
InChIKeyKOPPVYZVVMIAJL-UHFFFAOYSA-N
MW789.34 g/mol
LogP13.02
Rot. Bonds8

About 4-chloro-6-(4-methylphenyl)-2-(4-phenoxyphenyl)pyridine-3-carbonitrile;6-(4-methylphenyl)-4-(4-phenoxyphenyl)-1H-pyrazolo[4,3-c]pyridin-3-amine

4-chloro-6-(4-methylphenyl)-2-(4-phenoxyphenyl)pyridine-3-carbonitrile;6-(4-methylphenyl)-4-(4-phenoxyphenyl)-1H-pyrazolo[4,3-c]pyridin-3-amine (PubChem CID 159195536) has the molecular formula C50H37ClN6O2 and a molecular weight of 789.34 g/mol. Its IUPAC name is 4-chloro-6-(4-methylphenyl)-2-(4-phenoxyphenyl)pyridine-3-carbonitrile;6-(4-methylphenyl)-4-(4-phenoxyphenyl)-1H-pyrazolo[4,3-c]pyridin-3-amine.

Molecular Properties

Compound Name4-chloro-6-(4-methylphenyl)-2-(4-phenoxyphenyl)pyridine-3-carbonitrile;6-(4-methylphenyl)-4-(4-phenoxyphenyl)-1H-pyrazolo[4,3-c]pyridin-3-amine
PubChem CID159195536
Molecular FormulaC50H37ClN6O2
Molecular Weight789.34 g/mol
Exact Mass788.27
IUPAC Name4-chloro-6-(4-methylphenyl)-2-(4-phenoxyphenyl)pyridine-3-carbonitrile;6-(4-methylphenyl)-4-(4-phenoxyphenyl)-1H-pyrazolo[4,3-c]pyridin-3-amine
SMILESCc1ccc(-c2cc(Cl)c(C#N)c(-c3ccc(Oc4ccccc4)cc3)n2)cc1.Cc1ccc(-c2cc3[nH]nc(N)c3c(-c3ccc(Oc4ccccc4)cc3)n2)cc1
InChIInChI=1S/C25H17ClN2O.C25H20N4O/c1-17-7-9-18(10-8-17)24-15-23(26)22(16-27)25(28-24)19-11-13-21(14-12-19)29-20-5-3-2-4-6-20;1-16-7-9-17(10-8-16)21-15-22-23(25(26)29-28-22)24(27-21)18-11-13-20(14-12-18)30-19-5-3-2-4-6-19/h2-15H,1H3;2-15H,1H3,(H3,26,28,29)
InChIKeyKOPPVYZVVMIAJL-UHFFFAOYSA-N
XLogP13.02
TPSA122.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500789.34
LogP ≤ 513.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-chloro-6-(4-methylphenyl)-2-(4-phenoxyphenyl)pyridine-3-carbonitrile;6-(4-methylphenyl)-4-(4-phenoxyphenyl)-1H-pyrazolo[4,3-c]pyridin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(4-methylphenyl)-2-(4-phenoxyphenyl)pyridine-3-carbonitrile;6-(4-methylphenyl)-4-(4-phenoxyphenyl)-1H-pyrazolo[4,3-c]pyridin-3-amine?
The IUPAC name of 4-chloro-6-(4-methylphenyl)-2-(4-phenoxyphenyl)pyridine-3-carbonitrile;6-(4-methylphenyl)-4-(4-phenoxyphenyl)-1H-pyrazolo[4,3-c]pyridin-3-amine (CID 159195536) is 4-chloro-6-(4-methylphenyl)-2-(4-phenoxyphenyl)pyridine-3-carbonitrile;6-(4-methylphenyl)-4-(4-phenoxyphenyl)-1H-pyrazolo[4,3-c]pyridin-3-amine.
What is the SMILES notation for 4-chloro-6-(4-methylphenyl)-2-(4-phenoxyphenyl)pyridine-3-carbonitrile;6-(4-methylphenyl)-4-(4-phenoxyphenyl)-1H-pyrazolo[4,3-c]pyridin-3-amine?
The canonical SMILES for 4-chloro-6-(4-methylphenyl)-2-(4-phenoxyphenyl)pyridine-3-carbonitrile;6-(4-methylphenyl)-4-(4-phenoxyphenyl)-1H-pyrazolo[4,3-c]pyridin-3-amine is Cc1ccc(-c2cc(Cl)c(C#N)c(-c3ccc(Oc4ccccc4)cc3)n2)cc1.Cc1ccc(-c2cc3[nH]nc(N)c3c(-c3ccc(Oc4ccccc4)cc3)n2)cc1.
What is the InChIKey of 4-chloro-6-(4-methylphenyl)-2-(4-phenoxyphenyl)pyridine-3-carbonitrile;6-(4-methylphenyl)-4-(4-phenoxyphenyl)-1H-pyrazolo[4,3-c]pyridin-3-amine?
The InChIKey is KOPPVYZVVMIAJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17ClN2O.C25H20N4O/c1-17-7-9-18(10-8-17)24-15-23(26)22(16-27)25(28-24)19-11-13-21(14-12-19)29-20-5-3-2-4-6-20;1-16-7-9-17(10-8-16)21-15-22-23(25(26)29-28-22)24(27-21)18-11-13-20(14-12-18)30-19-5-3-2-4-6-19/h2-15H,1H3;2-15H,1H3,(H3,26,28,29).
What are the key properties of 4-chloro-6-(4-methylphenyl)-2-(4-phenoxyphenyl)pyridine-3-carbonitrile;6-(4-methylphenyl)-4-(4-phenoxyphenyl)-1H-pyrazolo[4,3-c]pyridin-3-amine?
4-chloro-6-(4-methylphenyl)-2-(4-phenoxyphenyl)pyridine-3-carbonitrile;6-(4-methylphenyl)-4-(4-phenoxyphenyl)-1H-pyrazolo[4,3-c]pyridin-3-amine has a molecular weight of 789.34 g/mol, XLogP of 13.02, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(4-methylphenyl)-2-(4-phenoxyphenyl)pyridine-3-carbonitrile;6-(4-methylphenyl)-4-(4-phenoxyphenyl)-1H-pyrazolo[4,3-c]pyridin-3-amine is sourced from PubChem (CID 159195536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).