3-[5-(2,6-dichloro-3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine

C21H18Cl2FN7O — CID 118110272

IUPAC3-[5-(2,6-dichloro-3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine
SMILESNc1ncc(-c2cnn(C3CCNCC3)c2)cc1-c1nnc(-c2c(Cl)ccc(F)c2Cl)o1
InChIInChI=1S/C21H18Cl2FN7O/c22-15-1-2-16(24)18(23)17(15)21-30-29-20(32-21)14-7-11(8-27-19(14)25)12-9-28-31(10-12)13-3-5-26-6-4-13/h1-2,7-10,13,26H,3-6H2,(H2,25,27)
InChIKeyZCLZKGMBFGLEIJ-UHFFFAOYSA-N
MW474.33 g/mol
LogP4.61
Rot. Bonds4

About 3-[5-(2,6-dichloro-3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine

3-[5-(2,6-dichloro-3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine (PubChem CID 118110272) has the molecular formula C21H18Cl2FN7O and a molecular weight of 474.33 g/mol. Its IUPAC name is 3-[5-(2,6-dichloro-3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine.

Molecular Properties

Compound Name3-[5-(2,6-dichloro-3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine
PubChem CID118110272
Molecular FormulaC21H18Cl2FN7O
Molecular Weight474.33 g/mol
Exact Mass473.09
IUPAC Name3-[5-(2,6-dichloro-3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine
SMILESNc1ncc(-c2cnn(C3CCNCC3)c2)cc1-c1nnc(-c2c(Cl)ccc(F)c2Cl)o1
InChIInChI=1S/C21H18Cl2FN7O/c22-15-1-2-16(24)18(23)17(15)21-30-29-20(32-21)14-7-11(8-27-19(14)25)12-9-28-31(10-12)13-3-5-26-6-4-13/h1-2,7-10,13,26H,3-6H2,(H2,25,27)
InChIKeyZCLZKGMBFGLEIJ-UHFFFAOYSA-N
XLogP4.61
TPSA107.68 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.33
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-5-[1-(oxan-4-yl)pyrazol-4-yl]pyridine-3-carboxamide
CID 66550112
2-amino-N-[(1S)-1-(2,6-dichloro-3-fluorophenyl)ethyl]-5-[1-(oxan-4-yl)pyrazol-4-yl]pyridine-3-carboxamide
CID 66553589
Dsp7A26K25
CID 118110201
2-amino-N-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethyl]-5-[1-(oxan-4-yl)pyrazol-4-yl]pyridine-3-carboxamide
CID 66553512
3-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-[(1S)-1-pyridin-2-ylethyl]pyridin-2-amine
CID 97548955
5-Bromo-3-[5-(2,6-dichloro-3-fluorophenyl)-1,3,4-oxadiazol-2-yl]pyridin-2-amine
CID 118110134
Tert-butyl 4-[4-[6-amino-5-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-3-pyridinyl]pyrazol-1-yl]piperidine-1-carboxylate
CID 118110157
3-[5-(4-Fluorophenyl)-1,3,4-oxadiazol-2-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine
CID 118110169
3-[5-(2,5-difluorophenyl)-1,3,4-oxadiazol-2-yl]-5-(1H-pyrazol-4-yl)pyridin-2-amine
CID 118110177
3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-5-(1H-pyrazol-4-yl)pyridin-2-amine
CID 118110224
3-[5-(2,5-Difluorophenyl)-1,3,4-oxadiazol-2-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine
CID 118110242
2-[(2-Chloro-6-fluorophenyl)methyl]-5-(7-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl)-1,3,4-oxadiazole
CID 121319197

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2,6-dichloro-3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine?
The IUPAC name of 3-[5-(2,6-dichloro-3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine (CID 118110272) is 3-[5-(2,6-dichloro-3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine.
What is the SMILES notation for 3-[5-(2,6-dichloro-3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine?
The canonical SMILES for 3-[5-(2,6-dichloro-3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine is Nc1ncc(-c2cnn(C3CCNCC3)c2)cc1-c1nnc(-c2c(Cl)ccc(F)c2Cl)o1.
What is the InChIKey of 3-[5-(2,6-dichloro-3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine?
The InChIKey is ZCLZKGMBFGLEIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18Cl2FN7O/c22-15-1-2-16(24)18(23)17(15)21-30-29-20(32-21)14-7-11(8-27-19(14)25)12-9-28-31(10-12)13-3-5-26-6-4-13/h1-2,7-10,13,26H,3-6H2,(H2,25,27).
What are the key properties of 3-[5-(2,6-dichloro-3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine?
3-[5-(2,6-dichloro-3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine has a molecular weight of 474.33 g/mol, XLogP of 4.61, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2,6-dichloro-3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine is sourced from PubChem (CID 118110272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).