methyl 4-[3-[(5,7-difluoroquinolin-6-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]piperazine-1-carboxylate

C22H20F2N6O2 — CID 50915058

IUPACmethyl 4-[3-[(5,7-difluoroquinolin-6-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]piperazine-1-carboxylate
SMILESCOC(=O)N1CCN(c2ccc3ncc(Cc4c(F)cc5ncccc5c4F)n3n2)CC1
InChIInChI=1S/C22H20F2N6O2/c1-32-22(31)29-9-7-28(8-10-29)20-5-4-19-26-13-14(30(19)27-20)11-16-17(23)12-18-15(21(16)24)3-2-6-25-18/h2-6,12-13H,7-11H2,1H3
InChIKeyHUXIPZYSEMXECQ-UHFFFAOYSA-N
MW438.44 g/mol
LogP3.03
Rot. Bonds3

About methyl 4-[3-[(5,7-difluoroquinolin-6-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]piperazine-1-carboxylate

methyl 4-[3-[(5,7-difluoroquinolin-6-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]piperazine-1-carboxylate (PubChem CID 50915058) has the molecular formula C22H20F2N6O2 and a molecular weight of 438.44 g/mol. Its IUPAC name is methyl 4-[3-[(5,7-difluoroquinolin-6-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]piperazine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-[3-[(5,7-difluoroquinolin-6-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]piperazine-1-carboxylate
PubChem CID50915058
Molecular FormulaC22H20F2N6O2
Molecular Weight438.44 g/mol
Exact Mass438.16
IUPAC Namemethyl 4-[3-[(5,7-difluoroquinolin-6-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]piperazine-1-carboxylate
SMILESCOC(=O)N1CCN(c2ccc3ncc(Cc4c(F)cc5ncccc5c4F)n3n2)CC1
InChIInChI=1S/C22H20F2N6O2/c1-32-22(31)29-9-7-28(8-10-29)20-5-4-19-26-13-14(30(19)27-20)11-16-17(23)12-18-15(21(16)24)3-2-6-25-18/h2-6,12-13H,7-11H2,1H3
InChIKeyHUXIPZYSEMXECQ-UHFFFAOYSA-N
XLogP3.03
TPSA75.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.44
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 4-[3-[(5,7-difluoroquinolin-6-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]piperazine-1-carboxylate 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-[3-[1-(5,7-difluoroquinolin-6-yl)prop-2-ynyl]imidazo[1,2-b]pyridazin-6-yl]piperazine-1-carboxamide
CID 123611476
propan-2-yl 4-[3-(2-methoxy-3-pyridinyl)imidazo[1,2-b]pyridazin-6-yl]piperazine-1-carboxylate
CID 86696477
N-methyl-6-pyrrolidin-1-ylimidazo[1,2-b]pyridazine-3-carboxamide
CID 146415960
propan-2-yl 4-(3-phenylimidazo[1,2-b]pyridazin-6-yl)piperazine-1-carboxylate;hydrochloride
CID 86696442
tert-butyl 4-[3-(3-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]piperazine-1-carboxylate
CID 58857766
tert-butyl 4-(3-bromoimidazo[1,2-b]pyridazin-6-yl)-1,4-diazepane-1-carboxylate
CID 68647817
[4-(3-pyridin-2-ylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]-pyrrolidin-1-ylmethanone
CID 71727036
tert-butyl 4-[5-(7-chloro-1,6-naphthyridin-5-yl)-2-pyridinyl]piperazine-1-carboxylate
CID 175209676
4-[3-[1-(5,7-difluoroquinolin-6-yl)ethyl]imidazo[1,2-b]pyridazin-6-yl]-3-methylpiperazin-2-ol
CID 123698169
methyl 4-(5-propan-2-yl-2-pyridinyl)piperazine-1-carboxylate
CID 165380767
ethyl 4-[5-[(2-fluorophenyl)methylcarbamoyl]-2-pyridinyl]piperazine-1-carboxylate
CID 109156537
[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazin-1-yl]-(2,4,5-trifluoro-3-methoxyphenyl)methanone
CID 122347436

Frequently Asked Questions

What is the IUPAC name of methyl 4-[3-[(5,7-difluoroquinolin-6-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]piperazine-1-carboxylate?
The IUPAC name of methyl 4-[3-[(5,7-difluoroquinolin-6-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]piperazine-1-carboxylate (CID 50915058) is methyl 4-[3-[(5,7-difluoroquinolin-6-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]piperazine-1-carboxylate.
What is the SMILES notation for methyl 4-[3-[(5,7-difluoroquinolin-6-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]piperazine-1-carboxylate?
The canonical SMILES for methyl 4-[3-[(5,7-difluoroquinolin-6-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]piperazine-1-carboxylate is COC(=O)N1CCN(c2ccc3ncc(Cc4c(F)cc5ncccc5c4F)n3n2)CC1.
What is the InChIKey of methyl 4-[3-[(5,7-difluoroquinolin-6-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]piperazine-1-carboxylate?
The InChIKey is HUXIPZYSEMXECQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F2N6O2/c1-32-22(31)29-9-7-28(8-10-29)20-5-4-19-26-13-14(30(19)27-20)11-16-17(23)12-18-15(21(16)24)3-2-6-25-18/h2-6,12-13H,7-11H2,1H3.
What are the key properties of methyl 4-[3-[(5,7-difluoroquinolin-6-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]piperazine-1-carboxylate?
methyl 4-[3-[(5,7-difluoroquinolin-6-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]piperazine-1-carboxylate has a molecular weight of 438.44 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[3-[(5,7-difluoroquinolin-6-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]piperazine-1-carboxylate is sourced from PubChem (CID 50915058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).