1-[4-[5-[5-(6-chloro-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-2,6-dimethylpyrimidin-4-yl]piperidin-1-yl]-2-(2,6-difluorophenyl)ethanone

C26H23ClF2N6O2 — CID 118378116

IUPAC1-[4-[5-[5-(6-chloro-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-2,6-dimethylpyrimidin-4-yl]piperidin-1-yl]-2-(2,6-difluorophenyl)ethanone
SMILESCc1nc(C)c(-c2nnc(-c3ccc(Cl)nc3)o2)c(C2CCN(C(=O)Cc3c(F)cccc3F)CC2)n1
InChIInChI=1S/C26H23ClF2N6O2/c1-14-23(26-34-33-25(37-26)17-6-7-21(27)30-13-17)24(32-15(2)31-14)16-8-10-35(11-9-16)22(36)12-18-19(28)4-3-5-20(18)29/h3-7,13,16H,8-12H2,1-2H3
InChIKeyVUSIDNXYPINHGO-UHFFFAOYSA-N
MW524.96 g/mol
LogP5.09
Rot. Bonds5

About 1-[4-[5-[5-(6-chloro-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-2,6-dimethylpyrimidin-4-yl]piperidin-1-yl]-2-(2,6-difluorophenyl)ethanone

1-[4-[5-[5-(6-chloro-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-2,6-dimethylpyrimidin-4-yl]piperidin-1-yl]-2-(2,6-difluorophenyl)ethanone (PubChem CID 118378116) has the molecular formula C26H23ClF2N6O2 and a molecular weight of 524.96 g/mol. Its IUPAC name is 1-[4-[5-[5-(6-chloro-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-2,6-dimethylpyrimidin-4-yl]piperidin-1-yl]-2-(2,6-difluorophenyl)ethanone.

Molecular Properties

Compound Name1-[4-[5-[5-(6-chloro-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-2,6-dimethylpyrimidin-4-yl]piperidin-1-yl]-2-(2,6-difluorophenyl)ethanone
PubChem CID118378116
Molecular FormulaC26H23ClF2N6O2
Molecular Weight524.96 g/mol
Exact Mass524.15
IUPAC Name1-[4-[5-[5-(6-chloro-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-2,6-dimethylpyrimidin-4-yl]piperidin-1-yl]-2-(2,6-difluorophenyl)ethanone
SMILESCc1nc(C)c(-c2nnc(-c3ccc(Cl)nc3)o2)c(C2CCN(C(=O)Cc3c(F)cccc3F)CC2)n1
InChIInChI=1S/C26H23ClF2N6O2/c1-14-23(26-34-33-25(37-26)17-6-7-21(27)30-13-17)24(32-15(2)31-14)16-8-10-35(11-9-16)22(36)12-18-19(28)4-3-5-20(18)29/h3-7,13,16H,8-12H2,1-2H3
InChIKeyVUSIDNXYPINHGO-UHFFFAOYSA-N
XLogP5.09
TPSA97.90 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.96
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 1-[4-[5-[5-(6-chloro-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-2,6-dimethylpyrimidin-4-yl]piperidin-1-yl]-2-(2,6-difluorophenyl)ethanone with MolForge

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Related Compounds

2-[4-(3-Chloro-4-fluorophenyl)phenyl]-5-[3-(1,8-naphthyridin-2-yl)propyl]-1,3,4-oxadiazole
CID 71454870
4-[3-chloro-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyridin-2-yl]-N-[5-(trifluoromethyl)pyridin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxamide
CID 90380957
5-[5-(5-Chloro-2-fluorophenyl)-1,3,4-oxadiazol-2-YL]-2-(1H-imidazol-1-YL)pyridine
CID 53183273
2-{4-[5-(4-Fluorophenyl)-1,3,4-oxadiazol-2-YL]piperidin-1-YL}-4-methylpyrimidine
CID 72855908
1-{3-[5-(4-Chlorophenyl)-1,3,4-oxadiazol-2-YL]pyridin-2-YL}-4-(propan-2-YL)piperazine
CID 53134002
1-{3-[5-(4-Chlorophenyl)-1,3,4-oxadiazol-2-YL]pyridin-2-YL}-4-(2-methylpropyl)piperazine
CID 53134004
1-(5-Chloro-2-fluorobenzoyl)-4-[3-(5-methyl-1,3,4-oxadiazol-2-YL)pyridin-2-YL]piperazine
CID 87050160
1-(2-Chloro-5-fluorobenzoyl)-4-[3-(5-cyclopropyl-1,3,4-oxadiazol-2-YL)pyridin-2-YL]piperazine
CID 87050193
3-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-[(1S)-1-pyridin-2-ylethyl]pyridin-2-amine
CID 97548955
2-Phenyl-5-[2-(trifluoromethyl)-1,8-naphthyridin-3-yl]-1,3,4-oxadiazole
CID 10893238
methyl 5-chloro-6-[(3R)-4-[6-(3-chloro-4-fluorophenyl)-2-(2-methylpyrrolidin-1-yl)pyrimidin-4-yl]-3-methylpiperazin-1-yl]pyridine-3-carboxylate
CID 11548572
ethyl 5-chloro-6-[(3R)-4-[6-(3-chloro-4-fluorophenyl)-2-(2-methylpyrrolidin-1-yl)pyrimidin-4-yl]-3-methylpiperazin-1-yl]pyridine-3-carboxylate
CID 11570511

Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-[5-(6-chloro-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-2,6-dimethylpyrimidin-4-yl]piperidin-1-yl]-2-(2,6-difluorophenyl)ethanone?
The IUPAC name of 1-[4-[5-[5-(6-chloro-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-2,6-dimethylpyrimidin-4-yl]piperidin-1-yl]-2-(2,6-difluorophenyl)ethanone (CID 118378116) is 1-[4-[5-[5-(6-chloro-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-2,6-dimethylpyrimidin-4-yl]piperidin-1-yl]-2-(2,6-difluorophenyl)ethanone.
What is the SMILES notation for 1-[4-[5-[5-(6-chloro-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-2,6-dimethylpyrimidin-4-yl]piperidin-1-yl]-2-(2,6-difluorophenyl)ethanone?
The canonical SMILES for 1-[4-[5-[5-(6-chloro-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-2,6-dimethylpyrimidin-4-yl]piperidin-1-yl]-2-(2,6-difluorophenyl)ethanone is Cc1nc(C)c(-c2nnc(-c3ccc(Cl)nc3)o2)c(C2CCN(C(=O)Cc3c(F)cccc3F)CC2)n1.
What is the InChIKey of 1-[4-[5-[5-(6-chloro-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-2,6-dimethylpyrimidin-4-yl]piperidin-1-yl]-2-(2,6-difluorophenyl)ethanone?
The InChIKey is VUSIDNXYPINHGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23ClF2N6O2/c1-14-23(26-34-33-25(37-26)17-6-7-21(27)30-13-17)24(32-15(2)31-14)16-8-10-35(11-9-16)22(36)12-18-19(28)4-3-5-20(18)29/h3-7,13,16H,8-12H2,1-2H3.
What are the key properties of 1-[4-[5-[5-(6-chloro-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-2,6-dimethylpyrimidin-4-yl]piperidin-1-yl]-2-(2,6-difluorophenyl)ethanone?
1-[4-[5-[5-(6-chloro-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-2,6-dimethylpyrimidin-4-yl]piperidin-1-yl]-2-(2,6-difluorophenyl)ethanone has a molecular weight of 524.96 g/mol, XLogP of 5.09, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-[5-(6-chloro-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-2,6-dimethylpyrimidin-4-yl]piperidin-1-yl]-2-(2,6-difluorophenyl)ethanone is sourced from PubChem (CID 118378116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).