3-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-(3-methyl-2-pyridinyl)propanamide

C21H25N7O3 — CID 20957235

IUPAC3-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-(3-methyl-2-pyridinyl)propanamide
SMILESCc1cccnc1NC(=O)CCc1nnc2ccc(N3CCC4(CC3)OCCO4)nn12
InChIInChI=1S/C21H25N7O3/c1-15-3-2-10-22-20(15)23-19(29)7-6-17-25-24-16-4-5-18(26-28(16)17)27-11-8-21(9-12-27)30-13-14-31-21/h2-5,10H,6-9,11-14H2,1H3,(H,22,23,29)
InChIKeyFZOCWAIRHFNEFS-UHFFFAOYSA-N
MW423.48 g/mol
LogP1.74
Rot. Bonds5

About 3-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-(3-methyl-2-pyridinyl)propanamide

3-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-(3-methyl-2-pyridinyl)propanamide (PubChem CID 20957235) has the molecular formula C21H25N7O3 and a molecular weight of 423.48 g/mol. Its IUPAC name is 3-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-(3-methyl-2-pyridinyl)propanamide.

Molecular Properties

Compound Name3-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-(3-methyl-2-pyridinyl)propanamide
PubChem CID20957235
Molecular FormulaC21H25N7O3
Molecular Weight423.48 g/mol
Exact Mass423.20
IUPAC Name3-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-(3-methyl-2-pyridinyl)propanamide
SMILESCc1cccnc1NC(=O)CCc1nnc2ccc(N3CCC4(CC3)OCCO4)nn12
InChIInChI=1S/C21H25N7O3/c1-15-3-2-10-22-20(15)23-19(29)7-6-17-25-24-16-4-5-18(26-28(16)17)27-11-8-21(9-12-27)30-13-14-31-21/h2-5,10H,6-9,11-14H2,1H3,(H,22,23,29)
InChIKeyFZOCWAIRHFNEFS-UHFFFAOYSA-N
XLogP1.74
TPSA106.77 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.48
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 3-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-(3-methyl-2-pyridinyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-(3-methyl-2-pyridinyl)propanamide?
The IUPAC name of 3-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-(3-methyl-2-pyridinyl)propanamide (CID 20957235) is 3-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-(3-methyl-2-pyridinyl)propanamide.
What is the SMILES notation for 3-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-(3-methyl-2-pyridinyl)propanamide?
The canonical SMILES for 3-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-(3-methyl-2-pyridinyl)propanamide is Cc1cccnc1NC(=O)CCc1nnc2ccc(N3CCC4(CC3)OCCO4)nn12.
What is the InChIKey of 3-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-(3-methyl-2-pyridinyl)propanamide?
The InChIKey is FZOCWAIRHFNEFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N7O3/c1-15-3-2-10-22-20(15)23-19(29)7-6-17-25-24-16-4-5-18(26-28(16)17)27-11-8-21(9-12-27)30-13-14-31-21/h2-5,10H,6-9,11-14H2,1H3,(H,22,23,29).
What are the key properties of 3-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-(3-methyl-2-pyridinyl)propanamide?
3-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-(3-methyl-2-pyridinyl)propanamide has a molecular weight of 423.48 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-(3-methyl-2-pyridinyl)propanamide is sourced from PubChem (CID 20957235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).