3-[6-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-(5-methyl-2-pyridinyl)propanamide

C20H25N7O — CID 20903673

IUPAC3-[6-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-(5-methyl-2-pyridinyl)propanamide
SMILESCc1ccc(NC(=O)CCc2nnc3ccc(N4CCC(C)CC4)nn23)nc1
InChIInChI=1S/C20H25N7O/c1-14-9-11-26(12-10-14)19-6-5-17-23-24-18(27(17)25-19)7-8-20(28)22-16-4-3-15(2)13-21-16/h3-6,13-14H,7-12H2,1-2H3,(H,21,22,28)
InChIKeyIEEWQLVGYSRJLO-UHFFFAOYSA-N
MW379.47 g/mol
LogP2.64
Rot. Bonds5

About 3-[6-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-(5-methyl-2-pyridinyl)propanamide

3-[6-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-(5-methyl-2-pyridinyl)propanamide (PubChem CID 20903673) has the molecular formula C20H25N7O and a molecular weight of 379.47 g/mol. Its IUPAC name is 3-[6-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-(5-methyl-2-pyridinyl)propanamide.

Molecular Properties

Compound Name3-[6-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-(5-methyl-2-pyridinyl)propanamide
PubChem CID20903673
Molecular FormulaC20H25N7O
Molecular Weight379.47 g/mol
Exact Mass379.21
IUPAC Name3-[6-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-(5-methyl-2-pyridinyl)propanamide
SMILESCc1ccc(NC(=O)CCc2nnc3ccc(N4CCC(C)CC4)nn23)nc1
InChIInChI=1S/C20H25N7O/c1-14-9-11-26(12-10-14)19-6-5-17-23-24-18(27(17)25-19)7-8-20(28)22-16-4-3-15(2)13-21-16/h3-6,13-14H,7-12H2,1-2H3,(H,21,22,28)
InChIKeyIEEWQLVGYSRJLO-UHFFFAOYSA-N
XLogP2.64
TPSA88.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.47
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[6-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-(5-methyl-2-pyridinyl)propanamide?
The IUPAC name of 3-[6-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-(5-methyl-2-pyridinyl)propanamide (CID 20903673) is 3-[6-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-(5-methyl-2-pyridinyl)propanamide.
What is the SMILES notation for 3-[6-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-(5-methyl-2-pyridinyl)propanamide?
The canonical SMILES for 3-[6-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-(5-methyl-2-pyridinyl)propanamide is Cc1ccc(NC(=O)CCc2nnc3ccc(N4CCC(C)CC4)nn23)nc1.
What is the InChIKey of 3-[6-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-(5-methyl-2-pyridinyl)propanamide?
The InChIKey is IEEWQLVGYSRJLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N7O/c1-14-9-11-26(12-10-14)19-6-5-17-23-24-18(27(17)25-19)7-8-20(28)22-16-4-3-15(2)13-21-16/h3-6,13-14H,7-12H2,1-2H3,(H,21,22,28).
What are the key properties of 3-[6-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-(5-methyl-2-pyridinyl)propanamide?
3-[6-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-(5-methyl-2-pyridinyl)propanamide has a molecular weight of 379.47 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-(5-methyl-2-pyridinyl)propanamide is sourced from PubChem (CID 20903673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).