6-(3-chloro-4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbaldehyde;1,2,2-trimethylpiperazine

C23H29ClFN5O — CID 144817164

IUPAC6-(3-chloro-4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbaldehyde;1,2,2-trimethylpiperazine
SMILESCC(C)c1cc(-c2ccc(F)c(Cl)c2)nn2cc(C=O)nc12.CN1CCNCC1(C)C
InChIInChI=1S/C16H13ClFN3O.C7H16N2/c1-9(2)12-6-15(10-3-4-14(18)13(17)5-10)20-21-7-11(8-22)19-16(12)21;1-7(2)6-8-4-5-9(7)3/h3-9H,1-2H3;8H,4-6H2,1-3H3
InChIKeyMNIRYBSBVMRRQU-UHFFFAOYSA-N
MW445.97 g/mol
LogP4.42
Rot. Bonds3

About 6-(3-chloro-4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbaldehyde;1,2,2-trimethylpiperazine

6-(3-chloro-4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbaldehyde;1,2,2-trimethylpiperazine (PubChem CID 144817164) has the molecular formula C23H29ClFN5O and a molecular weight of 445.97 g/mol. Its IUPAC name is 6-(3-chloro-4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbaldehyde;1,2,2-trimethylpiperazine.

Molecular Properties

Compound Name6-(3-chloro-4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbaldehyde;1,2,2-trimethylpiperazine
PubChem CID144817164
Molecular FormulaC23H29ClFN5O
Molecular Weight445.97 g/mol
Exact Mass445.20
IUPAC Name6-(3-chloro-4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbaldehyde;1,2,2-trimethylpiperazine
SMILESCC(C)c1cc(-c2ccc(F)c(Cl)c2)nn2cc(C=O)nc12.CN1CCNCC1(C)C
InChIInChI=1S/C16H13ClFN3O.C7H16N2/c1-9(2)12-6-15(10-3-4-14(18)13(17)5-10)20-21-7-11(8-22)19-16(12)21;1-7(2)6-8-4-5-9(7)3/h3-9H,1-2H3;8H,4-6H2,1-3H3
InChIKeyMNIRYBSBVMRRQU-UHFFFAOYSA-N
XLogP4.42
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.97
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-(4-chlorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbaldehyde;1,2,2-trimethylpiperazine
CID 144817790
6-(3-fluoro-4-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbaldehyde
CID 144817267
6-(4-fluoro-3-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbaldehyde;1H-1,2,4-triazol-5-yl-(3,3,4-trimethylpiperazin-1-yl)methanone
CID 144817831
6-[3-fluoro-4-(trifluoromethyl)phenyl]-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbaldehyde
CID 144817626
6-(4-fluoro-3-methylphenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbaldehyde;1-(1H-imidazol-5-yl)-3,3,4-trimethylpiperazin-2-one
CID 144817526
6-chloro-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbaldehyde
CID 144817336
8-tert-butyl-6-(4-fluoro-3-methylphenyl)imidazo[1,2-b]pyridazine-2-carbaldehyde;pyrimidin-2-yl-(3,3,4-trimethylpiperazin-1-yl)methanone
CID 144817471
8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbaldehyde;1-(3,3,4-trimethylpiperazin-1-yl)ethanone
CID 144817753
4-[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazine-1-carbaldehyde
CID 144817343
6,8-bis(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbaldehyde
CID 144817670
azane;(2,2-dimethylpiperazin-1-yl)-[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazin-2-yl]methanone;[4-[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-hydroxy-3-methylcyclobutyl)methanone;3-hydroxy-3-methylcyclobutane-1-carboxylic acid
CID 159591685
6-(4-fluorophenyl)-8-(2-hydroxypropan-2-yl)imidazo[1,2-b]pyridazine-2-carbaldehyde
CID 144817332

Frequently Asked Questions

What is the IUPAC name of 6-(3-chloro-4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbaldehyde;1,2,2-trimethylpiperazine?
The IUPAC name of 6-(3-chloro-4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbaldehyde;1,2,2-trimethylpiperazine (CID 144817164) is 6-(3-chloro-4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbaldehyde;1,2,2-trimethylpiperazine.
What is the SMILES notation for 6-(3-chloro-4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbaldehyde;1,2,2-trimethylpiperazine?
The canonical SMILES for 6-(3-chloro-4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbaldehyde;1,2,2-trimethylpiperazine is CC(C)c1cc(-c2ccc(F)c(Cl)c2)nn2cc(C=O)nc12.CN1CCNCC1(C)C.
What is the InChIKey of 6-(3-chloro-4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbaldehyde;1,2,2-trimethylpiperazine?
The InChIKey is MNIRYBSBVMRRQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClFN3O.C7H16N2/c1-9(2)12-6-15(10-3-4-14(18)13(17)5-10)20-21-7-11(8-22)19-16(12)21;1-7(2)6-8-4-5-9(7)3/h3-9H,1-2H3;8H,4-6H2,1-3H3.
What are the key properties of 6-(3-chloro-4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbaldehyde;1,2,2-trimethylpiperazine?
6-(3-chloro-4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbaldehyde;1,2,2-trimethylpiperazine has a molecular weight of 445.97 g/mol, XLogP of 4.42, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chloro-4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbaldehyde;1,2,2-trimethylpiperazine is sourced from PubChem (CID 144817164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).