(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-(1,2,5-trimethylpyrrol-3-yl)methanone

C18H22N6O — CID 90653625

IUPAC(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-(1,2,5-trimethylpyrrol-3-yl)methanone
SMILESCc1cc(C(=O)N2CCN(c3ccc4nccn4n3)CC2)c(C)n1C
InChIInChI=1S/C18H22N6O/c1-13-12-15(14(2)21(13)3)18(25)23-10-8-22(9-11-23)17-5-4-16-19-6-7-24(16)20-17/h4-7,12H,8-11H2,1-3H3
InChIKeyLBIFKECQRDRIDI-UHFFFAOYSA-N
MW338.42 g/mol
LogP1.65
Rot. Bonds2

About (4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-(1,2,5-trimethylpyrrol-3-yl)methanone

(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-(1,2,5-trimethylpyrrol-3-yl)methanone (PubChem CID 90653625) has the molecular formula C18H22N6O and a molecular weight of 338.42 g/mol. Its IUPAC name is (4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-(1,2,5-trimethylpyrrol-3-yl)methanone.

Molecular Properties

Compound Name(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-(1,2,5-trimethylpyrrol-3-yl)methanone
PubChem CID90653625
Molecular FormulaC18H22N6O
Molecular Weight338.42 g/mol
Exact Mass338.19
IUPAC Name(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-(1,2,5-trimethylpyrrol-3-yl)methanone
SMILESCc1cc(C(=O)N2CCN(c3ccc4nccn4n3)CC2)c(C)n1C
InChIInChI=1S/C18H22N6O/c1-13-12-15(14(2)21(13)3)18(25)23-10-8-22(9-11-23)17-5-4-16-19-6-7-24(16)20-17/h4-7,12H,8-11H2,1-3H3
InChIKeyLBIFKECQRDRIDI-UHFFFAOYSA-N
XLogP1.65
TPSA58.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.42
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-(1,2,5-trimethylpyrrol-3-yl)methanone 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

(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-[2-(trifluoromethyl)phenyl]methanone
CID 141143818
(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-(2-methoxy-4-methyl-1,3-thiazol-5-yl)methanone
CID 118792467
(1-ethyl-3-propan-2-ylpyrazol-5-yl)-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)methanone
CID 118760650
4-(4-imidazo[1,2-b]pyridazin-6-ylpiperazine-1-carbonyl)-N,N-dimethylbenzenesulfonamide
CID 134310589
1-[4-(4-imidazo[1,2-b]pyridazin-6-ylpiperazine-1-carbonyl)piperidin-1-yl]ethanone
CID 91830679
(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-(4-pyrrolidin-1-ylsulfonylphenyl)methanone
CID 134310595
1-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-3-(1-methylpiperidin-4-yl)propan-1-one
CID 119068341
(2-methylphenyl)-[4-(1,2,5-trimethylpyrrole-3-carbonyl)piperazin-1-yl]methanone
CID 110802146
6-piperidin-1-ylimidazo[1,2-b]pyridazine
CID 23657730
(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-ylpiperidin-4-ol
CID 131704101
formic acid;4-(4-imidazo[1,2-b]pyridazin-6-ylpiperazine-1-carbonyl)-1-methylpyrrolidin-2-one
CID 154904776

Frequently Asked Questions

What is the IUPAC name of (4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-(1,2,5-trimethylpyrrol-3-yl)methanone?
The IUPAC name of (4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-(1,2,5-trimethylpyrrol-3-yl)methanone (CID 90653625) is (4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-(1,2,5-trimethylpyrrol-3-yl)methanone.
What is the SMILES notation for (4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-(1,2,5-trimethylpyrrol-3-yl)methanone?
The canonical SMILES for (4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-(1,2,5-trimethylpyrrol-3-yl)methanone is Cc1cc(C(=O)N2CCN(c3ccc4nccn4n3)CC2)c(C)n1C.
What is the InChIKey of (4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-(1,2,5-trimethylpyrrol-3-yl)methanone?
The InChIKey is LBIFKECQRDRIDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O/c1-13-12-15(14(2)21(13)3)18(25)23-10-8-22(9-11-23)17-5-4-16-19-6-7-24(16)20-17/h4-7,12H,8-11H2,1-3H3.
What are the key properties of (4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-(1,2,5-trimethylpyrrol-3-yl)methanone?
(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-(1,2,5-trimethylpyrrol-3-yl)methanone has a molecular weight of 338.42 g/mol, XLogP of 1.65, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-(1,2,5-trimethylpyrrol-3-yl)methanone is sourced from PubChem (CID 90653625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).