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

C20H22F2N6O — CID 20903727

IUPACN-(3,4-difluorophenyl)-3-[6-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide
SMILESCC1CCN(c2ccc3nnc(CCC(=O)Nc4ccc(F)c(F)c4)n3n2)CC1
InChIInChI=1S/C20H22F2N6O/c1-13-8-10-27(11-9-13)19-5-4-17-24-25-18(28(17)26-19)6-7-20(29)23-14-2-3-15(21)16(22)12-14/h2-5,12-13H,6-11H2,1H3,(H,23,29)
InChIKeyNKKNLQFFXJBHER-UHFFFAOYSA-N
MW400.43 g/mol
LogP3.21
Rot. Bonds5

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

N-(3,4-difluorophenyl)-3-[6-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide (PubChem CID 20903727) has the molecular formula C20H22F2N6O and a molecular weight of 400.43 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-3-[6-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-3-[6-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide
PubChem CID20903727
Molecular FormulaC20H22F2N6O
Molecular Weight400.43 g/mol
Exact Mass400.18
IUPAC NameN-(3,4-difluorophenyl)-3-[6-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide
SMILESCC1CCN(c2ccc3nnc(CCC(=O)Nc4ccc(F)c(F)c4)n3n2)CC1
InChIInChI=1S/C20H22F2N6O/c1-13-8-10-27(11-9-13)19-5-4-17-24-25-18(28(17)26-19)6-7-20(29)23-14-2-3-15(21)16(22)12-14/h2-5,12-13H,6-11H2,1H3,(H,23,29)
InChIKeyNKKNLQFFXJBHER-UHFFFAOYSA-N
XLogP3.21
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.43
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl)pentanamide
CID 7532156
N-(4-fluorophenyl)-4-[3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperazine-1-carboxamide
CID 9549989
3-[2-(3-fluorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-(2-phenylethyl)propanamide
CID 16008453
N-[5-[4-[(4,4-difluoropiperidin-1-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
CID 58374808
CID 146408547
CID 146408547
N-[5-[3-[(1S)-2,2-difluorocyclopropanecarbonyl]-3-azaspiro[5.5]undecan-9-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
CID 146408620
4-[3-(4-fluorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 3237324
1-(5-Phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-piperidine-4-carboxylic acid o-tolylamide
CID 3227286
1-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-propylpiperidine-4-carboxamide
CID 3227332
N-(2,4-Difluorophenyl)-3-{5,7-dimethyl-2-phenylpyrazolo[1,5-A]pyrimidin-6-YL}propanamide
CID 16008347
N-cyclohexyl-3-[2-(3-fluorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanamide
CID 16008465
3-[6-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-(5-methyl-2-pyridinyl)propanamide
CID 20903673

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-3-[6-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide?
The IUPAC name of N-(3,4-difluorophenyl)-3-[6-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide (CID 20903727) is N-(3,4-difluorophenyl)-3-[6-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-3-[6-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide?
The canonical SMILES for N-(3,4-difluorophenyl)-3-[6-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide is CC1CCN(c2ccc3nnc(CCC(=O)Nc4ccc(F)c(F)c4)n3n2)CC1.
What is the InChIKey of N-(3,4-difluorophenyl)-3-[6-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide?
The InChIKey is NKKNLQFFXJBHER-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F2N6O/c1-13-8-10-27(11-9-13)19-5-4-17-24-25-18(28(17)26-19)6-7-20(29)23-14-2-3-15(21)16(22)12-14/h2-5,12-13H,6-11H2,1H3,(H,23,29).
What are the key properties of N-(3,4-difluorophenyl)-3-[6-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide?
N-(3,4-difluorophenyl)-3-[6-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide has a molecular weight of 400.43 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-3-[6-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide is sourced from PubChem (CID 20903727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).