N-[2-methyl-6-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide

C23H26N8O2 — CID 56568299

IUPACN-[2-methyl-6-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide
SMILESCc1cccc(-c2nc(C(C)C)no2)c1NC(=O)C1CCN(c2ccc3nncn3n2)CC1
InChIInChI=1S/C23H26N8O2/c1-14(2)21-26-23(33-29-21)17-6-4-5-15(3)20(17)25-22(32)16-9-11-30(12-10-16)19-8-7-18-27-24-13-31(18)28-19/h4-8,13-14,16H,9-12H2,1-3H3,(H,25,32)
InChIKeyPDJIIDSAJCDROF-UHFFFAOYSA-N
MW446.52 g/mol
LogP3.46
Rot. Bonds5

About N-[2-methyl-6-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide

N-[2-methyl-6-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide (PubChem CID 56568299) has the molecular formula C23H26N8O2 and a molecular weight of 446.52 g/mol. Its IUPAC name is N-[2-methyl-6-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-methyl-6-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide
PubChem CID56568299
Molecular FormulaC23H26N8O2
Molecular Weight446.52 g/mol
Exact Mass446.22
IUPAC NameN-[2-methyl-6-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide
SMILESCc1cccc(-c2nc(C(C)C)no2)c1NC(=O)C1CCN(c2ccc3nncn3n2)CC1
InChIInChI=1S/C23H26N8O2/c1-14(2)21-26-23(33-29-21)17-6-4-5-15(3)20(17)25-22(32)16-9-11-30(12-10-16)19-8-7-18-27-24-13-31(18)28-19/h4-8,13-14,16H,9-12H2,1-3H3,(H,25,32)
InChIKeyPDJIIDSAJCDROF-UHFFFAOYSA-N
XLogP3.46
TPSA114.34 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.52
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-(4-methylphenyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 35439068
N-(3-chloro-2-methylphenyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 134022752
N'-(2-methylbenzoyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carbohydrazide
CID 43057127
N-(3-bromo-4-methylphenyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 55579434
(2R)-3-methyl-2-[[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carbonyl]amino]butanoic acid
CID 119369237
N-(4-cyclopropyl-1,3-thiazol-2-yl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 32869701
N-[[(2R)-oxolan-2-yl]methyl]-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 29131621
N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 55582989
1-(4-methoxyphenyl)-N-[2-methyl-6-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 56568532
N-(4-fluorophenyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 29132243
N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 166179292
N-(2,6-dimethylphenyl)-1-(6-methylpyridazin-3-yl)piperidine-4-carboxamide
CID 121118835

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-6-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide?
The IUPAC name of N-[2-methyl-6-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide (CID 56568299) is N-[2-methyl-6-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-[2-methyl-6-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide?
The canonical SMILES for N-[2-methyl-6-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide is Cc1cccc(-c2nc(C(C)C)no2)c1NC(=O)C1CCN(c2ccc3nncn3n2)CC1.
What is the InChIKey of N-[2-methyl-6-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide?
The InChIKey is PDJIIDSAJCDROF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N8O2/c1-14(2)21-26-23(33-29-21)17-6-4-5-15(3)20(17)25-22(32)16-9-11-30(12-10-16)19-8-7-18-27-24-13-31(18)28-19/h4-8,13-14,16H,9-12H2,1-3H3,(H,25,32).
What are the key properties of N-[2-methyl-6-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide?
N-[2-methyl-6-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide has a molecular weight of 446.52 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-6-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide is sourced from PubChem (CID 56568299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).