2-chloro-4-cyclopentyl-6-(4-phenoxyphenyl)pyridine-3-carbonitrile;2-chloro-6-cyclopentyl-4-(4-phenoxyphenyl)pyridine-3-carbonitrile;4-cyclopentyl-6-(4-phenoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-3-amine;6-cyclopentyl-4-(4-phenoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-3-amine

C92H82Cl2N12O4 — CID 160938644

IUPAC2-chloro-4-cyclopentyl-6-(4-phenoxyphenyl)pyridine-3-carbonitrile;2-chloro-6-cyclopentyl-4-(4-phenoxyphenyl)pyridine-3-carbonitrile;4-cyclopentyl-6-(4-phenoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-3-amine;6-cyclopentyl-4-(4-phenoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-3-amine
SMILESN#Cc1c(-c2ccc(Oc3ccccc3)cc2)cc(C2CCCC2)nc1Cl.N#Cc1c(C2CCCC2)cc(-c2ccc(Oc3ccccc3)cc2)nc1Cl.Nc1[nH]nc2nc(-c3ccc(Oc4ccccc4)cc3)cc(C3CCCC3)c12.Nc1[nH]nc2nc(C3CCCC3)cc(-c3ccc(Oc4ccccc4)cc3)c12
InChIInChI=1S/2C23H19ClN2O.2C23H22N4O/c24-23-21(15-25)20(14-22(26-23)17-6-4-5-7-17)16-10-12-19(13-11-16)27-18-8-2-1-3-9-18;24-23-21(15-25)20(16-6-4-5-7-16)14-22(26-23)17-10-12-19(13-11-17)27-18-8-2-1-3-9-18;24-22-21-19(14-20(16-6-4-5-7-16)25-23(21)27-26-22)15-10-12-18(13-11-15)28-17-8-2-1-3-9-17;24-22-21-19(15-6-4-5-7-15)14-20(25-23(21)27-26-22)16-10-12-18(13-11-16)28-17-8-2-1-3-9-17/h1-3,8-14,17H,4-7H2;1-3,8-14,16H,4-7H2;1-3,8-14,16H,4-7H2,(H3,24,25,26,27);1-3,8-15H,4-7H2,(H3,24,25,26,27)
InChIKeySUFBYIKIWPQXEO-UHFFFAOYSA-N
MW1490.65 g/mol
LogP24.76
Rot. Bonds16

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

2-chloro-4-cyclopentyl-6-(4-phenoxyphenyl)pyridine-3-carbonitrile;2-chloro-6-cyclopentyl-4-(4-phenoxyphenyl)pyridine-3-carbonitrile;4-cyclopentyl-6-(4-phenoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-3-amine;6-cyclopentyl-4-(4-phenoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-3-amine (PubChem CID 160938644) has the molecular formula C92H82Cl2N12O4 and a molecular weight of 1490.65 g/mol. Its IUPAC name is 2-chloro-4-cyclopentyl-6-(4-phenoxyphenyl)pyridine-3-carbonitrile;2-chloro-6-cyclopentyl-4-(4-phenoxyphenyl)pyridine-3-carbonitrile;4-cyclopentyl-6-(4-phenoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-3-amine;6-cyclopentyl-4-(4-phenoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-3-amine.

Molecular Properties

Compound Name2-chloro-4-cyclopentyl-6-(4-phenoxyphenyl)pyridine-3-carbonitrile;2-chloro-6-cyclopentyl-4-(4-phenoxyphenyl)pyridine-3-carbonitrile;4-cyclopentyl-6-(4-phenoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-3-amine;6-cyclopentyl-4-(4-phenoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-3-amine
PubChem CID160938644
Molecular FormulaC92H82Cl2N12O4
Molecular Weight1490.65 g/mol
Exact Mass1488.60
IUPAC Name2-chloro-4-cyclopentyl-6-(4-phenoxyphenyl)pyridine-3-carbonitrile;2-chloro-6-cyclopentyl-4-(4-phenoxyphenyl)pyridine-3-carbonitrile;4-cyclopentyl-6-(4-phenoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-3-amine;6-cyclopentyl-4-(4-phenoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-3-amine
SMILESN#Cc1c(-c2ccc(Oc3ccccc3)cc2)cc(C2CCCC2)nc1Cl.N#Cc1c(C2CCCC2)cc(-c2ccc(Oc3ccccc3)cc2)nc1Cl.Nc1[nH]nc2nc(-c3ccc(Oc4ccccc4)cc3)cc(C3CCCC3)c12.Nc1[nH]nc2nc(C3CCCC3)cc(-c3ccc(Oc4ccccc4)cc3)c12
InChIInChI=1S/2C23H19ClN2O.2C23H22N4O/c24-23-21(15-25)20(14-22(26-23)17-6-4-5-7-17)16-10-12-19(13-11-16)27-18-8-2-1-3-9-18;24-23-21(15-25)20(16-6-4-5-7-16)14-22(26-23)17-10-12-19(13-11-17)27-18-8-2-1-3-9-18;24-22-21-19(14-20(16-6-4-5-7-16)25-23(21)27-26-22)15-10-12-18(13-11-15)28-17-8-2-1-3-9-17;24-22-21-19(15-6-4-5-7-15)14-20(25-23(21)27-26-22)16-10-12-18(13-11-16)28-17-8-2-1-3-9-17/h1-3,8-14,17H,4-7H2;1-3,8-14,16H,4-7H2;1-3,8-14,16H,4-7H2,(H3,24,25,26,27);1-3,8-15H,4-7H2,(H3,24,25,26,27)
InChIKeySUFBYIKIWPQXEO-UHFFFAOYSA-N
XLogP24.76
TPSA245.46 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds16
Heavy Atoms110
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001490.65
LogP ≤ 524.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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

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Related Compounds

2-chloro-6-(4-methylphenyl)-4-(4-phenoxyphenyl)pyridine-3-carbonitrile;6-(4-methylphenyl)-4-(4-phenoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-3-amine
CID 162072281
2-chloro-6-(4-methylphenyl)-4-(4-phenoxyphenyl)pyridine-3-carbonitrile;2,6-dichloro-4-(4-phenoxyphenyl)pyridine-3-carbonitrile
CID 157410503
6-(3-chlorophenyl)-4-phenyl-2H-pyrazolo[3,4-b]pyridin-3-amine
CID 46206940
6-(4-aminophenyl)-4-chloro-2-(4-phenoxyphenyl)pyridine-3-carbonitrile;4-chloro-6-(4-methylphenyl)-2-(4-phenoxyphenyl)pyridine-3-carbonitrile
CID 161477208
3,6-diamino-4-[4-(3,6-diamino-5-cyano-2H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile
CID 162650950
4-(4-phenoxyphenyl)-6-N-phenyl-2H-pyrazolo[3,4-d]pyrimidine-3,6-diamine
CID 67574874
2-(cyclohexylmethylsulfanyl)-6-(4-methoxyphenyl)-4-phenylpyridine-3-carbonitrile
CID 3131140
2-[3-amino-4-(4-phenoxyphenyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]benzonitrile
CID 154396472
2-cyclohexyl-7-(4-methylphenyl)-5-phenyl-1H-imidazo[4,5-b]pyridine
CID 25108942
2-[(3S)-3-[3-amino-4-(4-phenoxyphenyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]piperidine-1-carbonyl]-3-cyclopropylprop-2-enenitrile
CID 140638806
4,6-bis(4-methoxyphenyl)-2-phenylpyridine-3-carbonitrile
CID 12575125
2-cyclohexyl-5-(4-phenoxyphenyl)pyrimidine-4,6-diamine
CID 150345252

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-cyclopentyl-6-(4-phenoxyphenyl)pyridine-3-carbonitrile;2-chloro-6-cyclopentyl-4-(4-phenoxyphenyl)pyridine-3-carbonitrile;4-cyclopentyl-6-(4-phenoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-3-amine;6-cyclopentyl-4-(4-phenoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-3-amine?
The IUPAC name of 2-chloro-4-cyclopentyl-6-(4-phenoxyphenyl)pyridine-3-carbonitrile;2-chloro-6-cyclopentyl-4-(4-phenoxyphenyl)pyridine-3-carbonitrile;4-cyclopentyl-6-(4-phenoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-3-amine;6-cyclopentyl-4-(4-phenoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-3-amine (CID 160938644) is 2-chloro-4-cyclopentyl-6-(4-phenoxyphenyl)pyridine-3-carbonitrile;2-chloro-6-cyclopentyl-4-(4-phenoxyphenyl)pyridine-3-carbonitrile;4-cyclopentyl-6-(4-phenoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-3-amine;6-cyclopentyl-4-(4-phenoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-3-amine.
What is the SMILES notation for 2-chloro-4-cyclopentyl-6-(4-phenoxyphenyl)pyridine-3-carbonitrile;2-chloro-6-cyclopentyl-4-(4-phenoxyphenyl)pyridine-3-carbonitrile;4-cyclopentyl-6-(4-phenoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-3-amine;6-cyclopentyl-4-(4-phenoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-3-amine?
The canonical SMILES for 2-chloro-4-cyclopentyl-6-(4-phenoxyphenyl)pyridine-3-carbonitrile;2-chloro-6-cyclopentyl-4-(4-phenoxyphenyl)pyridine-3-carbonitrile;4-cyclopentyl-6-(4-phenoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-3-amine;6-cyclopentyl-4-(4-phenoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-3-amine is N#Cc1c(-c2ccc(Oc3ccccc3)cc2)cc(C2CCCC2)nc1Cl.N#Cc1c(C2CCCC2)cc(-c2ccc(Oc3ccccc3)cc2)nc1Cl.Nc1[nH]nc2nc(-c3ccc(Oc4ccccc4)cc3)cc(C3CCCC3)c12.Nc1[nH]nc2nc(C3CCCC3)cc(-c3ccc(Oc4ccccc4)cc3)c12.
What is the InChIKey of 2-chloro-4-cyclopentyl-6-(4-phenoxyphenyl)pyridine-3-carbonitrile;2-chloro-6-cyclopentyl-4-(4-phenoxyphenyl)pyridine-3-carbonitrile;4-cyclopentyl-6-(4-phenoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-3-amine;6-cyclopentyl-4-(4-phenoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-3-amine?
The InChIKey is SUFBYIKIWPQXEO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C23H19ClN2O.2C23H22N4O/c24-23-21(15-25)20(14-22(26-23)17-6-4-5-7-17)16-10-12-19(13-11-16)27-18-8-2-1-3-9-18;24-23-21(15-25)20(16-6-4-5-7-16)14-22(26-23)17-10-12-19(13-11-17)27-18-8-2-1-3-9-18;24-22-21-19(14-20(16-6-4-5-7-16)25-23(21)27-26-22)15-10-12-18(13-11-15)28-17-8-2-1-3-9-17;24-22-21-19(15-6-4-5-7-15)14-20(25-23(21)27-26-22)16-10-12-18(13-11-16)28-17-8-2-1-3-9-17/h1-3,8-14,17H,4-7H2;1-3,8-14,16H,4-7H2;1-3,8-14,16H,4-7H2,(H3,24,25,26,27);1-3,8-15H,4-7H2,(H3,24,25,26,27).
What are the key properties of 2-chloro-4-cyclopentyl-6-(4-phenoxyphenyl)pyridine-3-carbonitrile;2-chloro-6-cyclopentyl-4-(4-phenoxyphenyl)pyridine-3-carbonitrile;4-cyclopentyl-6-(4-phenoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-3-amine;6-cyclopentyl-4-(4-phenoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-3-amine?
2-chloro-4-cyclopentyl-6-(4-phenoxyphenyl)pyridine-3-carbonitrile;2-chloro-6-cyclopentyl-4-(4-phenoxyphenyl)pyridine-3-carbonitrile;4-cyclopentyl-6-(4-phenoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-3-amine;6-cyclopentyl-4-(4-phenoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-3-amine has a molecular weight of 1490.65 g/mol, XLogP of 24.76, 16 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-cyclopentyl-6-(4-phenoxyphenyl)pyridine-3-carbonitrile;2-chloro-6-cyclopentyl-4-(4-phenoxyphenyl)pyridine-3-carbonitrile;4-cyclopentyl-6-(4-phenoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-3-amine;6-cyclopentyl-4-(4-phenoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-3-amine is sourced from PubChem (CID 160938644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).