2-(3-aminopiperidin-1-yl)-5-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3-prop-1-ynylimidazo[4,5-d]pyridazin-4-one

C22H24N8O — CID 142903136

IUPAC2-(3-aminopiperidin-1-yl)-5-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3-prop-1-ynylimidazo[4,5-d]pyridazin-4-one
SMILESCC#Cn1c(N2CCCC(N)C2)nc2cnn(Cc3cn4c(C)cccc4n3)c(=O)c21
InChIInChI=1S/C22H24N8O/c1-3-9-28-20-18(26-22(28)27-10-5-7-16(23)12-27)11-24-30(21(20)31)14-17-13-29-15(2)6-4-8-19(29)25-17/h4,6,8,11,13,16H,5,7,10,12,14,23H2,1-2H3
InChIKeyRVJKPWZZKAILGO-UHFFFAOYSA-N
MW416.49 g/mol
LogP1.35
Rot. Bonds3

About 2-(3-aminopiperidin-1-yl)-5-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3-prop-1-ynylimidazo[4,5-d]pyridazin-4-one

2-(3-aminopiperidin-1-yl)-5-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3-prop-1-ynylimidazo[4,5-d]pyridazin-4-one (PubChem CID 142903136) has the molecular formula C22H24N8O and a molecular weight of 416.49 g/mol. Its IUPAC name is 2-(3-aminopiperidin-1-yl)-5-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3-prop-1-ynylimidazo[4,5-d]pyridazin-4-one.

Molecular Properties

Compound Name2-(3-aminopiperidin-1-yl)-5-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3-prop-1-ynylimidazo[4,5-d]pyridazin-4-one
PubChem CID142903136
Molecular FormulaC22H24N8O
Molecular Weight416.49 g/mol
Exact Mass416.21
IUPAC Name2-(3-aminopiperidin-1-yl)-5-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3-prop-1-ynylimidazo[4,5-d]pyridazin-4-one
SMILESCC#Cn1c(N2CCCC(N)C2)nc2cnn(Cc3cn4c(C)cccc4n3)c(=O)c21
InChIInChI=1S/C22H24N8O/c1-3-9-28-20-18(26-22(28)27-10-5-7-16(23)12-27)11-24-30(21(20)31)14-17-13-29-15(2)6-4-8-19(29)25-17/h4,6,8,11,13,16H,5,7,10,12,14,23H2,1-2H3
InChIKeyRVJKPWZZKAILGO-UHFFFAOYSA-N
XLogP1.35
TPSA99.27 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.49
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 2-(3-aminopiperidin-1-yl)-5-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3-prop-1-ynylimidazo[4,5-d]pyridazin-4-one with MolForge

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Related Compounds

2-[(3R)-3-aminopiperidin-1-yl]-3-ethyl-5-(isoquinolin-3-ylmethyl)imidazo[4,5-d]pyridazin-4-one
CID 67561592
2-[(3R)-3-aminopiperidin-1-yl]-3-ethyl-5-[(2-methylnaphthalen-1-yl)methyl]imidazo[4,5-d]pyridazin-4-one
CID 67560532
4-[[2-[(3R)-3-aminopiperidin-1-yl]-3-but-2-ynyl-4-oxoimidazo[4,5-d]pyridazin-5-yl]methyl]-2-methylisoquinolin-1-one
CID 21054380
2-(3-aminopiperidin-1-yl)-3-but-2-ynyl-5-(1,3-thiazol-2-ylmethyl)imidazo[4,5-d]pyridazin-4-one
CID 21054533
2-(3-aminopiperidin-1-yl)-3-but-2-ynyl-5-(2-phenylethyl)imidazo[4,5-d]pyridazin-4-one
CID 21054526
2-[(3R)-3-aminopiperidin-1-yl]-3-butyl-5-[(4-methylquinazolin-2-yl)methyl]imidazo[4,5-d]pyridazin-4-one
CID 123280947
2-(3-aminopiperidin-1-yl)-3-(3-methylbut-2-enyl)-5-(quinazolin-2-ylmethyl)imidazo[4,5-d]pyridazin-4-one
CID 21054449
2-[(3R)-3-aminopiperidin-1-yl]-3-but-2-ynyl-5-[(1-oxido-4-oxoquinoxalin-4-ium-2-yl)methyl]imidazo[4,5-d]pyridazin-4-one
CID 21088917
2-[(3R)-3-aminopiperidin-1-yl]-3-ethyl-5-[(2,3,8-trimethylquinoxalin-6-yl)methyl]imidazo[4,5-d]pyridazin-4-one
CID 67561422
2-(3-aminopiperidin-1-yl)-5-[(4,4-dimethyl-1,3-benzothiazin-2-yl)methyl]-3-ethylimidazo[4,5-d]pyridazin-4-one
CID 70992623
2-(3-aminopiperidin-1-yl)-3-(cyclohexen-1-ylmethyl)-5-(isoquinolin-1-ylmethyl)imidazo[4,5-d]pyridazin-4-one
CID 21054441
8-(3-aminopiperidin-1-yl)-7-but-2-ynyl-1-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-methylpurine-2,6-dione
CID 66753881

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopiperidin-1-yl)-5-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3-prop-1-ynylimidazo[4,5-d]pyridazin-4-one?
The IUPAC name of 2-(3-aminopiperidin-1-yl)-5-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3-prop-1-ynylimidazo[4,5-d]pyridazin-4-one (CID 142903136) is 2-(3-aminopiperidin-1-yl)-5-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3-prop-1-ynylimidazo[4,5-d]pyridazin-4-one.
What is the SMILES notation for 2-(3-aminopiperidin-1-yl)-5-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3-prop-1-ynylimidazo[4,5-d]pyridazin-4-one?
The canonical SMILES for 2-(3-aminopiperidin-1-yl)-5-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3-prop-1-ynylimidazo[4,5-d]pyridazin-4-one is CC#Cn1c(N2CCCC(N)C2)nc2cnn(Cc3cn4c(C)cccc4n3)c(=O)c21.
What is the InChIKey of 2-(3-aminopiperidin-1-yl)-5-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3-prop-1-ynylimidazo[4,5-d]pyridazin-4-one?
The InChIKey is RVJKPWZZKAILGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N8O/c1-3-9-28-20-18(26-22(28)27-10-5-7-16(23)12-27)11-24-30(21(20)31)14-17-13-29-15(2)6-4-8-19(29)25-17/h4,6,8,11,13,16H,5,7,10,12,14,23H2,1-2H3.
What are the key properties of 2-(3-aminopiperidin-1-yl)-5-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3-prop-1-ynylimidazo[4,5-d]pyridazin-4-one?
2-(3-aminopiperidin-1-yl)-5-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3-prop-1-ynylimidazo[4,5-d]pyridazin-4-one has a molecular weight of 416.49 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopiperidin-1-yl)-5-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3-prop-1-ynylimidazo[4,5-d]pyridazin-4-one is sourced from PubChem (CID 142903136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).