ethyl 2-methyl-3-piperidin-1-yl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylate;2-methyl-3-piperidin-1-yl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylic acid

C34H48N8O4 — CID 163488591

IUPACethyl 2-methyl-3-piperidin-1-yl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylate;2-methyl-3-piperidin-1-yl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylic acid
SMILESCCOC(=O)c1cnn2c(N3CCCCC3)c(C)nc2c1C(C)C.Cc1nc2c(C(C)C)c(C(=O)O)cnn2c1N1CCCCC1
InChIInChI=1S/C18H26N4O2.C16H22N4O2/c1-5-24-18(23)14-11-19-22-16(15(14)12(2)3)20-13(4)17(22)21-9-7-6-8-10-21;1-10(2)13-12(16(21)22)9-17-20-14(13)18-11(3)15(20)19-7-5-4-6-8-19/h11-12H,5-10H2,1-4H3;9-10H,4-8H2,1-3H3,(H,21,22)
InChIKeyCKQUQOYDLWNZNB-UHFFFAOYSA-N
MW632.81 g/mol
LogP6.18
Rot. Bonds7

About ethyl 2-methyl-3-piperidin-1-yl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylate;2-methyl-3-piperidin-1-yl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylic acid

ethyl 2-methyl-3-piperidin-1-yl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylate;2-methyl-3-piperidin-1-yl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylic acid (PubChem CID 163488591) has the molecular formula C34H48N8O4 and a molecular weight of 632.81 g/mol. Its IUPAC name is ethyl 2-methyl-3-piperidin-1-yl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylate;2-methyl-3-piperidin-1-yl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylic acid.

Molecular Properties

Compound Nameethyl 2-methyl-3-piperidin-1-yl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylate;2-methyl-3-piperidin-1-yl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylic acid
PubChem CID163488591
Molecular FormulaC34H48N8O4
Molecular Weight632.81 g/mol
Exact Mass632.38
IUPAC Nameethyl 2-methyl-3-piperidin-1-yl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylate;2-methyl-3-piperidin-1-yl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylic acid
SMILESCCOC(=O)c1cnn2c(N3CCCCC3)c(C)nc2c1C(C)C.Cc1nc2c(C(C)C)c(C(=O)O)cnn2c1N1CCCCC1
InChIInChI=1S/C18H26N4O2.C16H22N4O2/c1-5-24-18(23)14-11-19-22-16(15(14)12(2)3)20-13(4)17(22)21-9-7-6-8-10-21;1-10(2)13-12(16(21)22)9-17-20-14(13)18-11(3)15(20)19-7-5-4-6-8-19/h11-12H,5-10H2,1-4H3;9-10H,4-8H2,1-3H3,(H,21,22)
InChIKeyCKQUQOYDLWNZNB-UHFFFAOYSA-N
XLogP6.18
TPSA130.46 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms46
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500632.81
LogP ≤ 56.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze ethyl 2-methyl-3-piperidin-1-yl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylate;2-methyl-3-piperidin-1-yl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

ethyl 3-bromo-2-methyl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylate
CID 162494463
ethyl 7-chloro-5-methyl-6-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 82274224
ethyl 2-(azepan-1-yl)-4-(difluoromethyl)pyrimidine-5-carboxylate
CID 102973232
3-(3,5-dichlorophenyl)-2-methyl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylic acid
CID 162494396
zinc;ethyl 3-bromo-2-methyl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylate;ethyl 3-tert-butyl-2-methyl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylate;ethyl 2-methyl-3-(2-methylpropyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylate;bis(2-methylpropane)
CID 163419669
ethyl 6-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 113225230
acetylene;ethyl 5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 142589568
3-methoxypropyl 3-(3,5-dichlorophenyl)-2-methyl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylate
CID 166881922
ethyl 5-(4-propan-2-ylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 998722
ethyl 2-(1-methoxy-2-methylpropyl)-4-methylpyrimidine-5-carboxylate
CID 102972388
ethyl 5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 843507
ethyl 4-methyl-2-thiomorpholin-4-ylpyrimidine-5-carboxylate
CID 46397674

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-3-piperidin-1-yl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylate;2-methyl-3-piperidin-1-yl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylic acid?
The IUPAC name of ethyl 2-methyl-3-piperidin-1-yl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylate;2-methyl-3-piperidin-1-yl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylic acid (CID 163488591) is ethyl 2-methyl-3-piperidin-1-yl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylate;2-methyl-3-piperidin-1-yl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylic acid.
What is the SMILES notation for ethyl 2-methyl-3-piperidin-1-yl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylate;2-methyl-3-piperidin-1-yl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylic acid?
The canonical SMILES for ethyl 2-methyl-3-piperidin-1-yl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylate;2-methyl-3-piperidin-1-yl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylic acid is CCOC(=O)c1cnn2c(N3CCCCC3)c(C)nc2c1C(C)C.Cc1nc2c(C(C)C)c(C(=O)O)cnn2c1N1CCCCC1.
What is the InChIKey of ethyl 2-methyl-3-piperidin-1-yl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylate;2-methyl-3-piperidin-1-yl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylic acid?
The InChIKey is CKQUQOYDLWNZNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2.C16H22N4O2/c1-5-24-18(23)14-11-19-22-16(15(14)12(2)3)20-13(4)17(22)21-9-7-6-8-10-21;1-10(2)13-12(16(21)22)9-17-20-14(13)18-11(3)15(20)19-7-5-4-6-8-19/h11-12H,5-10H2,1-4H3;9-10H,4-8H2,1-3H3,(H,21,22).
What are the key properties of ethyl 2-methyl-3-piperidin-1-yl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylate;2-methyl-3-piperidin-1-yl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylic acid?
ethyl 2-methyl-3-piperidin-1-yl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylate;2-methyl-3-piperidin-1-yl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylic acid has a molecular weight of 632.81 g/mol, XLogP of 6.18, 7 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-3-piperidin-1-yl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylate;2-methyl-3-piperidin-1-yl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylic acid is sourced from PubChem (CID 163488591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).