formic acid;4-(4-imidazo[1,2-b]pyridazin-6-ylpiperazine-1-carbonyl)-1-methylpyrrolidin-2-one

C17H22N6O4 — CID 154904776

IUPACformic acid;4-(4-imidazo[1,2-b]pyridazin-6-ylpiperazine-1-carbonyl)-1-methylpyrrolidin-2-one
SMILESCN1CC(C(=O)N2CCN(c3ccc4nccn4n3)CC2)CC1=O.O=CO
InChIInChI=1S/C16H20N6O2.CH2O2/c1-19-11-12(10-15(19)23)16(24)21-8-6-20(7-9-21)14-3-2-13-17-4-5-22(13)18-14;2-1-3/h2-5,12H,6-11H2,1H3;1H,(H,2,3)
InChIKeyMGJDHARFCNVHIH-UHFFFAOYSA-N
MW374.40 g/mol
LogP-0.44
Rot. Bonds2

About formic acid;4-(4-imidazo[1,2-b]pyridazin-6-ylpiperazine-1-carbonyl)-1-methylpyrrolidin-2-one

formic acid;4-(4-imidazo[1,2-b]pyridazin-6-ylpiperazine-1-carbonyl)-1-methylpyrrolidin-2-one (PubChem CID 154904776) has the molecular formula C17H22N6O4 and a molecular weight of 374.40 g/mol. Its IUPAC name is formic acid;4-(4-imidazo[1,2-b]pyridazin-6-ylpiperazine-1-carbonyl)-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Nameformic acid;4-(4-imidazo[1,2-b]pyridazin-6-ylpiperazine-1-carbonyl)-1-methylpyrrolidin-2-one
PubChem CID154904776
Molecular FormulaC17H22N6O4
Molecular Weight374.40 g/mol
Exact Mass374.17
IUPAC Nameformic acid;4-(4-imidazo[1,2-b]pyridazin-6-ylpiperazine-1-carbonyl)-1-methylpyrrolidin-2-one
SMILESCN1CC(C(=O)N2CCN(c3ccc4nccn4n3)CC2)CC1=O.O=CO
InChIInChI=1S/C16H20N6O2.CH2O2/c1-19-11-12(10-15(19)23)16(24)21-8-6-20(7-9-21)14-3-2-13-17-4-5-22(13)18-14;2-1-3/h2-5,12H,6-11H2,1H3;1H,(H,2,3)
InChIKeyMGJDHARFCNVHIH-UHFFFAOYSA-N
XLogP-0.44
TPSA111.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 5-0.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze formic acid;4-(4-imidazo[1,2-b]pyridazin-6-ylpiperazine-1-carbonyl)-1-methylpyrrolidin-2-one with MolForge

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

Launch Full Analysis

Related Compounds

1-[4-(4-imidazo[1,2-b]pyridazin-6-ylpiperazine-1-carbonyl)piperidin-1-yl]ethanone
CID 91830679
(5S)-5-(4-imidazo[1,2-b]pyridazin-6-ylpiperazine-1-carbonyl)-1-(2-methoxyethyl)piperidin-2-one
CID 126431316
5-(4-imidazo[1,2-b]pyridazin-6-ylpiperazine-1-carbonyl)-1-(2-methoxyethyl)piperidin-2-one
CID 119062976
(4S)-4-[4-(3-chloro-4-pyridinyl)piperazine-1-carbonyl]-1-methylpyrrolidin-2-one
CID 97242543
1-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-3-(1-methylpiperidin-4-yl)propan-1-one
CID 119068341
6-piperidin-1-ylimidazo[1,2-b]pyridazine
CID 23657730
(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-(1,2,5-trimethylpyrrol-3-yl)methanone
CID 90653625
1-imidazo[1,2-b]pyridazin-6-ylpiperidin-4-ol
CID 131704101
(2S)-1-(azepan-1-yl)-2-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)propan-1-one
CID 125157813
1-imidazo[1,2-b]pyridazin-6-yl-N,N-dimethylpyrrolidine-3-carboxamide
CID 126857228
4-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]-1-methylpyrrolidin-2-one
CID 75460850
4-imidazo[1,2-b]pyridazin-6-yl-N-[(1R)-1-(1-methylpyrazol-4-yl)propyl]piperazine-1-carboxamide
CID 126443604

Frequently Asked Questions

What is the IUPAC name of formic acid;4-(4-imidazo[1,2-b]pyridazin-6-ylpiperazine-1-carbonyl)-1-methylpyrrolidin-2-one?
The IUPAC name of formic acid;4-(4-imidazo[1,2-b]pyridazin-6-ylpiperazine-1-carbonyl)-1-methylpyrrolidin-2-one (CID 154904776) is formic acid;4-(4-imidazo[1,2-b]pyridazin-6-ylpiperazine-1-carbonyl)-1-methylpyrrolidin-2-one.
What is the SMILES notation for formic acid;4-(4-imidazo[1,2-b]pyridazin-6-ylpiperazine-1-carbonyl)-1-methylpyrrolidin-2-one?
The canonical SMILES for formic acid;4-(4-imidazo[1,2-b]pyridazin-6-ylpiperazine-1-carbonyl)-1-methylpyrrolidin-2-one is CN1CC(C(=O)N2CCN(c3ccc4nccn4n3)CC2)CC1=O.O=CO.
What is the InChIKey of formic acid;4-(4-imidazo[1,2-b]pyridazin-6-ylpiperazine-1-carbonyl)-1-methylpyrrolidin-2-one?
The InChIKey is MGJDHARFCNVHIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O2.CH2O2/c1-19-11-12(10-15(19)23)16(24)21-8-6-20(7-9-21)14-3-2-13-17-4-5-22(13)18-14;2-1-3/h2-5,12H,6-11H2,1H3;1H,(H,2,3).
What are the key properties of formic acid;4-(4-imidazo[1,2-b]pyridazin-6-ylpiperazine-1-carbonyl)-1-methylpyrrolidin-2-one?
formic acid;4-(4-imidazo[1,2-b]pyridazin-6-ylpiperazine-1-carbonyl)-1-methylpyrrolidin-2-one has a molecular weight of 374.40 g/mol, XLogP of -0.44, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;4-(4-imidazo[1,2-b]pyridazin-6-ylpiperazine-1-carbonyl)-1-methylpyrrolidin-2-one is sourced from PubChem (CID 154904776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).