6-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)-[1,2,4]triazolo[4,3-b]pyridazine

C21H24N6 — CID 142594847

IUPAC6-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCC(C)c1c(-c2ccc3nncn3n2)[nH]c2ccc(C3CCNCC3)cc12
InChIInChI=1S/C21H24N6/c1-13(2)20-16-11-15(14-7-9-22-10-8-14)3-4-17(16)24-21(20)18-5-6-19-25-23-12-27(19)26-18/h3-6,11-14,22,24H,7-10H2,1-2H3
InChIKeyKOQLQTDNXXQDGE-UHFFFAOYSA-N
MW360.47 g/mol
LogP3.86
Rot. Bonds3

About 6-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)-[1,2,4]triazolo[4,3-b]pyridazine

6-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 142594847) has the molecular formula C21H24N6 and a molecular weight of 360.47 g/mol. Its IUPAC name is 6-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name6-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID142594847
Molecular FormulaC21H24N6
Molecular Weight360.47 g/mol
Exact Mass360.21
IUPAC Name6-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCC(C)c1c(-c2ccc3nncn3n2)[nH]c2ccc(C3CCNCC3)cc12
InChIInChI=1S/C21H24N6/c1-13(2)20-16-11-15(14-7-9-22-10-8-14)3-4-17(16)24-21(20)18-5-6-19-25-23-12-27(19)26-18/h3-6,11-14,22,24H,7-10H2,1-2H3
InChIKeyKOQLQTDNXXQDGE-UHFFFAOYSA-N
XLogP3.86
TPSA70.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.47
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze 6-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)-[1,2,4]triazolo[4,3-b]pyridazine with MolForge

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Related Compounds

3-fluoro-2-methyl-5-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)pyrazolo[1,5-a]pyrimidine
CID 142594339
6-fluoro-2-methyl-5-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)pyrazolo[1,5-a]pyrimidine
CID 142593738
5-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)-2H-benzotriazole
CID 142593838
5-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)-1H-pyrazolo[3,4-c]pyridine
CID 142594027
2,5-dimethyl-6-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)pyridazin-3-one
CID 137464299
5-methyl-7-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)imidazo[1,2-a]pyridine
CID 142594108
7-chloro-5-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)imidazo[1,2-a]pyridine
CID 142594371
5-piperidin-4-yl-3-propan-2-yl-2-(2,3,6-trimethyl-4-pyridinyl)-1H-indole
CID 134330320
2-(5-chloro-2-fluoro-4-pyridinyl)-5-piperidin-4-yl-3-propan-2-yl-1H-indole
CID 134330056
3-(methoxymethyl)-6-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)-[1,2,4]triazolo[4,3-a]pyridine
CID 137463938
3-methyl-7-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)imidazo[4,5-b]pyridine
CID 142593803
4-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)pyrrolo[2,1-f][1,2,4]triazine
CID 142594728

Frequently Asked Questions

What is the IUPAC name of 6-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 6-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)-[1,2,4]triazolo[4,3-b]pyridazine (CID 142594847) is 6-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 6-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 6-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)-[1,2,4]triazolo[4,3-b]pyridazine is CC(C)c1c(-c2ccc3nncn3n2)[nH]c2ccc(C3CCNCC3)cc12.
What is the InChIKey of 6-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is KOQLQTDNXXQDGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6/c1-13(2)20-16-11-15(14-7-9-22-10-8-14)3-4-17(16)24-21(20)18-5-6-19-25-23-12-27(19)26-18/h3-6,11-14,22,24H,7-10H2,1-2H3.
What are the key properties of 6-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)-[1,2,4]triazolo[4,3-b]pyridazine?
6-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 360.47 g/mol, XLogP of 3.86, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 142594847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).