N-(2-cyclohexyl-3H-benzimidazol-5-yl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide

C24H28N8O — CID 155949532

IUPACN-(2-cyclohexyl-3H-benzimidazol-5-yl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide
SMILESO=C(Nc1ccc2nc(C3CCCCC3)[nH]c2c1)C1CCN(c2ccc3nncn3n2)CC1
InChIInChI=1S/C24H28N8O/c33-24(17-10-12-31(13-11-17)22-9-8-21-29-25-15-32(21)30-22)26-18-6-7-19-20(14-18)28-23(27-19)16-4-2-1-3-5-16/h6-9,14-17H,1-5,10-13H2,(H,26,33)(H,27,28)
InChIKeyKXCAUXARTJAGOJ-UHFFFAOYSA-N
MW444.54 g/mol
LogP3.90
Rot. Bonds4

About N-(2-cyclohexyl-3H-benzimidazol-5-yl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide

N-(2-cyclohexyl-3H-benzimidazol-5-yl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide (PubChem CID 155949532) has the molecular formula C24H28N8O and a molecular weight of 444.54 g/mol. Its IUPAC name is N-(2-cyclohexyl-3H-benzimidazol-5-yl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-cyclohexyl-3H-benzimidazol-5-yl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide
PubChem CID155949532
Molecular FormulaC24H28N8O
Molecular Weight444.54 g/mol
Exact Mass444.24
IUPAC NameN-(2-cyclohexyl-3H-benzimidazol-5-yl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide
SMILESO=C(Nc1ccc2nc(C3CCCCC3)[nH]c2c1)C1CCN(c2ccc3nncn3n2)CC1
InChIInChI=1S/C24H28N8O/c33-24(17-10-12-31(13-11-17)22-9-8-21-29-25-15-32(21)30-22)26-18-6-7-19-20(14-18)28-23(27-19)16-4-2-1-3-5-16/h6-9,14-17H,1-5,10-13H2,(H,26,33)(H,27,28)
InChIKeyKXCAUXARTJAGOJ-UHFFFAOYSA-N
XLogP3.90
TPSA104.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.54
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-fluorophenyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 29132243
N-(4-methylphenyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 35439068
N-(3-bromo-4-methylphenyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 55579434
(1R,4S)-4-[(2-cyclohexyl-3H-benzimidazol-5-yl)carbamoyl]cyclobut-2-ene-1-carboxylic acid
CID 167922413
N-(4-butylphenyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 35439976
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-(2-cyclobutyl-3H-benzimidazol-5-yl)piperidine-3-carboxamide
CID 119871952
N-(2-chloro-3H-benzimidazol-5-yl)cyclohexanecarboxamide
CID 84581323
N-(3-chloro-2-methylphenyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 134022752
(6R)-N-(2-cyclobutyl-3H-benzimidazol-5-yl)-1-methyl-4,5,6,7-tetrahydroindazole-6-carboxamide
CID 125141087
(3S)-N-(3-chlorophenyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-3-carboxamide
CID 39348001
N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidine-4-carboxamide
CID 26017747

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexyl-3H-benzimidazol-5-yl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide?
The IUPAC name of N-(2-cyclohexyl-3H-benzimidazol-5-yl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide (CID 155949532) is N-(2-cyclohexyl-3H-benzimidazol-5-yl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-(2-cyclohexyl-3H-benzimidazol-5-yl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide?
The canonical SMILES for N-(2-cyclohexyl-3H-benzimidazol-5-yl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide is O=C(Nc1ccc2nc(C3CCCCC3)[nH]c2c1)C1CCN(c2ccc3nncn3n2)CC1.
What is the InChIKey of N-(2-cyclohexyl-3H-benzimidazol-5-yl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide?
The InChIKey is KXCAUXARTJAGOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N8O/c33-24(17-10-12-31(13-11-17)22-9-8-21-29-25-15-32(21)30-22)26-18-6-7-19-20(14-18)28-23(27-19)16-4-2-1-3-5-16/h6-9,14-17H,1-5,10-13H2,(H,26,33)(H,27,28).
What are the key properties of N-(2-cyclohexyl-3H-benzimidazol-5-yl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide?
N-(2-cyclohexyl-3H-benzimidazol-5-yl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide has a molecular weight of 444.54 g/mol, XLogP of 3.90, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexyl-3H-benzimidazol-5-yl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide is sourced from PubChem (CID 155949532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).