2-[3-[[6-(aminodiazenyl)-5-(2,2,2-trifluoroacetyl)-2-pyridinyl]amino]piperidin-1-yl]-6-(3-chlorophenyl)-4-(trifluoromethyl)pyridine-3-carbonitrile

C25H19ClF6N8O — CID 118312395

IUPAC2-[3-[[6-(aminodiazenyl)-5-(2,2,2-trifluoroacetyl)-2-pyridinyl]amino]piperidin-1-yl]-6-(3-chlorophenyl)-4-(trifluoromethyl)pyridine-3-carbonitrile
SMILESN#Cc1c(C(F)(F)F)cc(-c2cccc(Cl)c2)nc1N1CCCC(Nc2ccc(C(=O)C(F)(F)F)c(N=NN)n2)C1
InChIInChI=1S/C25H19ClF6N8O/c26-14-4-1-3-13(9-14)19-10-18(24(27,28)29)17(11-33)23(36-19)40-8-2-5-15(12-40)35-20-7-6-16(21(41)25(30,31)32)22(37-20)38-39-34/h1,3-4,6-7,9-10,15H,2,5,8,12H2,(H3,34,35,37,38)
InChIKeyZBFPMRQRYOMRNZ-UHFFFAOYSA-N
MW596.92 g/mol
LogP6.47
Rot. Bonds6

About 2-[3-[[6-(aminodiazenyl)-5-(2,2,2-trifluoroacetyl)-2-pyridinyl]amino]piperidin-1-yl]-6-(3-chlorophenyl)-4-(trifluoromethyl)pyridine-3-carbonitrile

2-[3-[[6-(aminodiazenyl)-5-(2,2,2-trifluoroacetyl)-2-pyridinyl]amino]piperidin-1-yl]-6-(3-chlorophenyl)-4-(trifluoromethyl)pyridine-3-carbonitrile (PubChem CID 118312395) has the molecular formula C25H19ClF6N8O and a molecular weight of 596.92 g/mol. Its IUPAC name is 2-[3-[[6-(aminodiazenyl)-5-(2,2,2-trifluoroacetyl)-2-pyridinyl]amino]piperidin-1-yl]-6-(3-chlorophenyl)-4-(trifluoromethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[3-[[6-(aminodiazenyl)-5-(2,2,2-trifluoroacetyl)-2-pyridinyl]amino]piperidin-1-yl]-6-(3-chlorophenyl)-4-(trifluoromethyl)pyridine-3-carbonitrile
PubChem CID118312395
Molecular FormulaC25H19ClF6N8O
Molecular Weight596.92 g/mol
Exact Mass596.13
IUPAC Name2-[3-[[6-(aminodiazenyl)-5-(2,2,2-trifluoroacetyl)-2-pyridinyl]amino]piperidin-1-yl]-6-(3-chlorophenyl)-4-(trifluoromethyl)pyridine-3-carbonitrile
SMILESN#Cc1c(C(F)(F)F)cc(-c2cccc(Cl)c2)nc1N1CCCC(Nc2ccc(C(=O)C(F)(F)F)c(N=NN)n2)C1
InChIInChI=1S/C25H19ClF6N8O/c26-14-4-1-3-13(9-14)19-10-18(24(27,28)29)17(11-33)23(36-19)40-8-2-5-15(12-40)35-20-7-6-16(21(41)25(30,31)32)22(37-20)38-39-34/h1,3-4,6-7,9-10,15H,2,5,8,12H2,(H3,34,35,37,38)
InChIKeyZBFPMRQRYOMRNZ-UHFFFAOYSA-N
XLogP6.47
TPSA132.65 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500596.92
LogP ≤ 56.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[3-[[6-(aminodiazenyl)-5-(2,2,2-trifluoroacetyl)-2-pyridinyl]amino]piperidin-1-yl]-6-(3-chlorophenyl)-4-(trifluoromethyl)pyridine-3-carbonitrile 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 2-[3-[[6-(aminodiazenyl)-5-(2,2,2-trifluoroacetyl)-2-pyridinyl]amino]piperidin-1-yl]-6-(3-chlorophenyl)-4-(trifluoromethyl)pyridine-3-carbonitrile?
The IUPAC name of 2-[3-[[6-(aminodiazenyl)-5-(2,2,2-trifluoroacetyl)-2-pyridinyl]amino]piperidin-1-yl]-6-(3-chlorophenyl)-4-(trifluoromethyl)pyridine-3-carbonitrile (CID 118312395) is 2-[3-[[6-(aminodiazenyl)-5-(2,2,2-trifluoroacetyl)-2-pyridinyl]amino]piperidin-1-yl]-6-(3-chlorophenyl)-4-(trifluoromethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-[3-[[6-(aminodiazenyl)-5-(2,2,2-trifluoroacetyl)-2-pyridinyl]amino]piperidin-1-yl]-6-(3-chlorophenyl)-4-(trifluoromethyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-[3-[[6-(aminodiazenyl)-5-(2,2,2-trifluoroacetyl)-2-pyridinyl]amino]piperidin-1-yl]-6-(3-chlorophenyl)-4-(trifluoromethyl)pyridine-3-carbonitrile is N#Cc1c(C(F)(F)F)cc(-c2cccc(Cl)c2)nc1N1CCCC(Nc2ccc(C(=O)C(F)(F)F)c(N=NN)n2)C1.
What is the InChIKey of 2-[3-[[6-(aminodiazenyl)-5-(2,2,2-trifluoroacetyl)-2-pyridinyl]amino]piperidin-1-yl]-6-(3-chlorophenyl)-4-(trifluoromethyl)pyridine-3-carbonitrile?
The InChIKey is ZBFPMRQRYOMRNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19ClF6N8O/c26-14-4-1-3-13(9-14)19-10-18(24(27,28)29)17(11-33)23(36-19)40-8-2-5-15(12-40)35-20-7-6-16(21(41)25(30,31)32)22(37-20)38-39-34/h1,3-4,6-7,9-10,15H,2,5,8,12H2,(H3,34,35,37,38).
What are the key properties of 2-[3-[[6-(aminodiazenyl)-5-(2,2,2-trifluoroacetyl)-2-pyridinyl]amino]piperidin-1-yl]-6-(3-chlorophenyl)-4-(trifluoromethyl)pyridine-3-carbonitrile?
2-[3-[[6-(aminodiazenyl)-5-(2,2,2-trifluoroacetyl)-2-pyridinyl]amino]piperidin-1-yl]-6-(3-chlorophenyl)-4-(trifluoromethyl)pyridine-3-carbonitrile has a molecular weight of 596.92 g/mol, XLogP of 6.47, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[6-(aminodiazenyl)-5-(2,2,2-trifluoroacetyl)-2-pyridinyl]amino]piperidin-1-yl]-6-(3-chlorophenyl)-4-(trifluoromethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 118312395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).