acetic acid;6-methoxy-8-[4-(4-pyrrolidin-1-ylphenoxy)piperidin-1-yl]imidazo[1,2-b]pyridazine

C24H31N5O4 — CID 144629687

IUPACacetic acid;6-methoxy-8-[4-(4-pyrrolidin-1-ylphenoxy)piperidin-1-yl]imidazo[1,2-b]pyridazine
SMILESCC(=O)O.COc1cc(N2CCC(Oc3ccc(N4CCCC4)cc3)CC2)c2nccn2n1
InChIInChI=1S/C22H27N5O2.C2H4O2/c1-28-21-16-20(22-23-10-15-27(22)24-21)26-13-8-19(9-14-26)29-18-6-4-17(5-7-18)25-11-2-3-12-25;1-2(3)4/h4-7,10,15-16,19H,2-3,8-9,11-14H2,1H3;1H3,(H,3,4)
InChIKeyDVCBNMQIIOCNHQ-UHFFFAOYSA-N
MW453.54 g/mol
LogP3.48
Rot. Bonds5

About acetic acid;6-methoxy-8-[4-(4-pyrrolidin-1-ylphenoxy)piperidin-1-yl]imidazo[1,2-b]pyridazine

acetic acid;6-methoxy-8-[4-(4-pyrrolidin-1-ylphenoxy)piperidin-1-yl]imidazo[1,2-b]pyridazine (PubChem CID 144629687) has the molecular formula C24H31N5O4 and a molecular weight of 453.54 g/mol. Its IUPAC name is acetic acid;6-methoxy-8-[4-(4-pyrrolidin-1-ylphenoxy)piperidin-1-yl]imidazo[1,2-b]pyridazine.

Molecular Properties

Compound Nameacetic acid;6-methoxy-8-[4-(4-pyrrolidin-1-ylphenoxy)piperidin-1-yl]imidazo[1,2-b]pyridazine
PubChem CID144629687
Molecular FormulaC24H31N5O4
Molecular Weight453.54 g/mol
Exact Mass453.24
IUPAC Nameacetic acid;6-methoxy-8-[4-(4-pyrrolidin-1-ylphenoxy)piperidin-1-yl]imidazo[1,2-b]pyridazine
SMILESCC(=O)O.COc1cc(N2CCC(Oc3ccc(N4CCCC4)cc3)CC2)c2nccn2n1
InChIInChI=1S/C22H27N5O2.C2H4O2/c1-28-21-16-20(22-23-10-15-27(22)24-21)26-13-8-19(9-14-26)29-18-6-4-17(5-7-18)25-11-2-3-12-25;1-2(3)4/h4-7,10,15-16,19H,2-3,8-9,11-14H2,1H3;1H3,(H,3,4)
InChIKeyDVCBNMQIIOCNHQ-UHFFFAOYSA-N
XLogP3.48
TPSA92.43 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.54
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'het_6_tetrazine(18)', 'substructure': 'N/A'}

Analyze acetic acid;6-methoxy-8-[4-(4-pyrrolidin-1-ylphenoxy)piperidin-1-yl]imidazo[1,2-b]pyridazine 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

acetic acid;5-fluoro-2-methoxy-4-[4-(4-pyrrolidin-1-ylphenoxy)piperidin-1-yl]pyridine
CID 144629740
5-chloro-2-methoxy-4-[4-[4-(3-methylpyrrolidin-1-yl)phenoxy]piperidin-1-yl]pyridine
CID 134405112
piperidin-1-yl-[4-(1-pyridin-4-ylpiperidin-4-yl)oxyphenyl]methanone
CID 72924715
4-(4-piperidin-1-ylphenoxy)-1-propan-2-ylpiperidine
CID 141090677
2-[2-[4-[1-(2-methoxy-4-pyridinyl)piperidin-4-yl]oxyphenyl]-4-methyl-5-(trifluoromethyl)-3,4-dihydropyrazol-3-yl]acetic acid
CID 123420051
(3R)-1-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid
CID 28875717
1-[4-(4-tert-butylcyclohexyl)oxyphenyl]piperidine
CID 13022864
N-[6-chloro-4-(4-phenoxypiperidin-1-yl)-2-pyridinyl]acetamide
CID 176574634
4-[6-(4-piperidin-1-ylanilino)pyrimidin-4-yl]oxypiperidine-1-carboxylic acid
CID 141132528
5-methoxy-2-piperidin-1-ylbenzoic acid
CID 70528238
4-[1-(4-nitrophenyl)piperidin-4-yl]oxypyridine-2-carboxamide
CID 133444215
(4-pyridin-3-yloxypiperidin-1-yl)-(4-pyrrolidin-1-ylphenyl)methanone
CID 90649725

Frequently Asked Questions

What is the IUPAC name of acetic acid;6-methoxy-8-[4-(4-pyrrolidin-1-ylphenoxy)piperidin-1-yl]imidazo[1,2-b]pyridazine?
The IUPAC name of acetic acid;6-methoxy-8-[4-(4-pyrrolidin-1-ylphenoxy)piperidin-1-yl]imidazo[1,2-b]pyridazine (CID 144629687) is acetic acid;6-methoxy-8-[4-(4-pyrrolidin-1-ylphenoxy)piperidin-1-yl]imidazo[1,2-b]pyridazine.
What is the SMILES notation for acetic acid;6-methoxy-8-[4-(4-pyrrolidin-1-ylphenoxy)piperidin-1-yl]imidazo[1,2-b]pyridazine?
The canonical SMILES for acetic acid;6-methoxy-8-[4-(4-pyrrolidin-1-ylphenoxy)piperidin-1-yl]imidazo[1,2-b]pyridazine is CC(=O)O.COc1cc(N2CCC(Oc3ccc(N4CCCC4)cc3)CC2)c2nccn2n1.
What is the InChIKey of acetic acid;6-methoxy-8-[4-(4-pyrrolidin-1-ylphenoxy)piperidin-1-yl]imidazo[1,2-b]pyridazine?
The InChIKey is DVCBNMQIIOCNHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O2.C2H4O2/c1-28-21-16-20(22-23-10-15-27(22)24-21)26-13-8-19(9-14-26)29-18-6-4-17(5-7-18)25-11-2-3-12-25;1-2(3)4/h4-7,10,15-16,19H,2-3,8-9,11-14H2,1H3;1H3,(H,3,4).
What are the key properties of acetic acid;6-methoxy-8-[4-(4-pyrrolidin-1-ylphenoxy)piperidin-1-yl]imidazo[1,2-b]pyridazine?
acetic acid;6-methoxy-8-[4-(4-pyrrolidin-1-ylphenoxy)piperidin-1-yl]imidazo[1,2-b]pyridazine has a molecular weight of 453.54 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;6-methoxy-8-[4-(4-pyrrolidin-1-ylphenoxy)piperidin-1-yl]imidazo[1,2-b]pyridazine is sourced from PubChem (CID 144629687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).