N-(5-chloro-2-methoxyphenyl)-3-(6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide

C20H23ClN6O2 — CID 20904050

IUPACN-(5-chloro-2-methoxyphenyl)-3-(6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide
SMILESCOc1ccc(Cl)cc1NC(=O)CCc1nnc2ccc(N3CCCCC3)nn12
InChIInChI=1S/C20H23ClN6O2/c1-29-16-6-5-14(21)13-15(16)22-20(28)10-9-18-24-23-17-7-8-19(25-27(17)18)26-11-3-2-4-12-26/h5-8,13H,2-4,9-12H2,1H3,(H,22,28)
InChIKeyZKQMEUPLSWMLHM-UHFFFAOYSA-N
MW414.90 g/mol
LogP3.35
Rot. Bonds6

About N-(5-chloro-2-methoxyphenyl)-3-(6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide

N-(5-chloro-2-methoxyphenyl)-3-(6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide (PubChem CID 20904050) has the molecular formula C20H23ClN6O2 and a molecular weight of 414.90 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-3-(6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-3-(6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide
PubChem CID20904050
Molecular FormulaC20H23ClN6O2
Molecular Weight414.90 g/mol
Exact Mass414.16
IUPAC NameN-(5-chloro-2-methoxyphenyl)-3-(6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide
SMILESCOc1ccc(Cl)cc1NC(=O)CCc1nnc2ccc(N3CCCCC3)nn12
InChIInChI=1S/C20H23ClN6O2/c1-29-16-6-5-14(21)13-15(16)22-20(28)10-9-18-24-23-17-7-8-19(25-27(17)18)26-11-3-2-4-12-26/h5-8,13H,2-4,9-12H2,1H3,(H,22,28)
InChIKeyZKQMEUPLSWMLHM-UHFFFAOYSA-N
XLogP3.35
TPSA84.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.90
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3,4-dimethoxyphenyl)-3-(6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide
CID 20903995
N-(2,5-difluorophenyl)-3-(6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide
CID 20904047
N-(2,5-difluorophenyl)-3-(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide
CID 20956872
N-(2,5-dimethoxyphenyl)-3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide
CID 56761580
2-methoxy-N-[(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]acetamide
CID 121181805
2-[4-(azepan-1-yl)pyrimidin-2-yl]sulfanyl-N-(5-chloro-2-methoxyphenyl)acetamide
CID 53142156
methyl 4-[3-[6-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanoylamino]benzoate
CID 20903900
3-[6-[(4-chlorophenyl)methylamino]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-(3,4-dimethoxyphenyl)propanamide
CID 20957358
N-(5-chloro-2-methoxyphenyl)-2-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]acetamide
CID 2224202
N-[3-(5-chloro-2-methoxyanilino)-3-oxopropyl]cyclopentanecarboxamide
CID 38764224
N-(5-chloro-2-methoxyphenyl)-2-[(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide
CID 71703398
N-[2-(4-methylsulfanylphenyl)ethyl]-3-(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide
CID 20903834

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-3-(6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-3-(6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide (CID 20904050) is N-(5-chloro-2-methoxyphenyl)-3-(6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-3-(6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-3-(6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide is COc1ccc(Cl)cc1NC(=O)CCc1nnc2ccc(N3CCCCC3)nn12.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-3-(6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide?
The InChIKey is ZKQMEUPLSWMLHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN6O2/c1-29-16-6-5-14(21)13-15(16)22-20(28)10-9-18-24-23-17-7-8-19(25-27(17)18)26-11-3-2-4-12-26/h5-8,13H,2-4,9-12H2,1H3,(H,22,28).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-3-(6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide?
N-(5-chloro-2-methoxyphenyl)-3-(6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide has a molecular weight of 414.90 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-3-(6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide is sourced from PubChem (CID 20904050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).