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

C21H18Cl2FN7O — CID 138620323

IUPAC3-[5-(2,6-dichloro-3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-4-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine
SMILESNc1nccc(-c2cnn(C3CCNCC3)c2)c1-c1nnc(-c2c(Cl)ccc(F)c2Cl)o1
InChIInChI=1S/C21H18Cl2FN7O/c22-14-1-2-15(24)18(23)17(14)21-30-29-20(32-21)16-13(5-8-27-19(16)25)11-9-28-31(10-11)12-3-6-26-7-4-12/h1-2,5,8-10,12,26H,3-4,6-7H2,(H2,25,27)
InChIKeyCNJNLWIFQUUIRM-UHFFFAOYSA-N
MW474.33 g/mol
LogP4.61
Rot. Bonds4

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

3-[5-(2,6-dichloro-3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-4-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine (PubChem CID 138620323) 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]-4-(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]-4-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine
PubChem CID138620323
Molecular FormulaC21H18Cl2FN7O
Molecular Weight474.33 g/mol
Exact Mass473.09
IUPAC Name3-[5-(2,6-dichloro-3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-4-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine
SMILESNc1nccc(-c2cnn(C3CCNCC3)c2)c1-c1nnc(-c2c(Cl)ccc(F)c2Cl)o1
InChIInChI=1S/C21H18Cl2FN7O/c22-14-1-2-15(24)18(23)17(14)21-30-29-20(32-21)16-13(5-8-27-19(16)25)11-9-28-31(10-11)12-3-6-26-7-4-12/h1-2,5,8-10,12,26H,3-4,6-7H2,(H2,25,27)
InChIKeyCNJNLWIFQUUIRM-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

Dsp7A26K25
CID 118110201
3-[5-(4-Chlorophenyl)-1,3,4-oxadiazol-2-YL]-N-[2-(cyclohex-1-EN-1-YL)ethyl]pyridin-2-amine
CID 53133995
3-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-[(1S)-1-pyridin-2-ylethyl]pyridin-2-amine
CID 97548955
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-(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
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
2-[(2-Chloro-6-fluorophenyl)methyl]-5-(7-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl)-1,3,4-oxadiazole
CID 121319197
Tert-butyl 4-[4-[6-amino-5-[5-(2,6-dichloro-3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-3-pyridinyl]pyrazol-1-yl]piperidine-1-carboxylate
CID 126482333
Tert-butyl 4-[4-[6-amino-5-[5-(2,5-difluorophenyl)-1,3,4-oxadiazol-2-yl]-3-pyridinyl]pyrazol-1-yl]piperidine-1-carboxylate
CID 154628058
4-[4-[6-Amino-5-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-3-pyridinyl]pyrazol-1-yl]piperidine-1-carboxylic acid
CID 154975218

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2,6-dichloro-3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-4-(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]-4-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine (CID 138620323) is 3-[5-(2,6-dichloro-3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-4-(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]-4-(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]-4-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine is Nc1nccc(-c2cnn(C3CCNCC3)c2)c1-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]-4-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine?
The InChIKey is CNJNLWIFQUUIRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18Cl2FN7O/c22-14-1-2-15(24)18(23)17(14)21-30-29-20(32-21)16-13(5-8-27-19(16)25)11-9-28-31(10-11)12-3-6-26-7-4-12/h1-2,5,8-10,12,26H,3-4,6-7H2,(H2,25,27).
What are the key properties of 3-[5-(2,6-dichloro-3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-4-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine?
3-[5-(2,6-dichloro-3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-4-(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]-4-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine is sourced from PubChem (CID 138620323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).