2-ethyl-N-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-6-(1,2,3,6-tetrahydropyridin-4-yl)imidazo[1,2-b]pyridazin-3-amine

C23H23FN6S — CID 140869449

IUPAC2-ethyl-N-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-6-(1,2,3,6-tetrahydropyridin-4-yl)imidazo[1,2-b]pyridazin-3-amine
SMILESCCc1nc2ccc(C3=CCNCC3)nn2c1NCc1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C23H23FN6S/c1-2-18-23(26-13-22-28-20(14-31-22)15-3-5-17(24)6-4-15)30-21(27-18)8-7-19(29-30)16-9-11-25-12-10-16/h3-9,14,25-26H,2,10-13H2,1H3
InChIKeyFDAAXOCSALBNLP-UHFFFAOYSA-N
MW434.54 g/mol
LogP4.54
Rot. Bonds6

About 2-ethyl-N-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-6-(1,2,3,6-tetrahydropyridin-4-yl)imidazo[1,2-b]pyridazin-3-amine

2-ethyl-N-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-6-(1,2,3,6-tetrahydropyridin-4-yl)imidazo[1,2-b]pyridazin-3-amine (PubChem CID 140869449) has the molecular formula C23H23FN6S and a molecular weight of 434.54 g/mol. Its IUPAC name is 2-ethyl-N-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-6-(1,2,3,6-tetrahydropyridin-4-yl)imidazo[1,2-b]pyridazin-3-amine.

Molecular Properties

Compound Name2-ethyl-N-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-6-(1,2,3,6-tetrahydropyridin-4-yl)imidazo[1,2-b]pyridazin-3-amine
PubChem CID140869449
Molecular FormulaC23H23FN6S
Molecular Weight434.54 g/mol
Exact Mass434.17
IUPAC Name2-ethyl-N-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-6-(1,2,3,6-tetrahydropyridin-4-yl)imidazo[1,2-b]pyridazin-3-amine
SMILESCCc1nc2ccc(C3=CCNCC3)nn2c1NCc1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C23H23FN6S/c1-2-18-23(26-13-22-28-20(14-31-22)15-3-5-17(24)6-4-15)30-21(27-18)8-7-19(29-30)16-9-11-25-12-10-16/h3-9,14,25-26H,2,10-13H2,1H3
InChIKeyFDAAXOCSALBNLP-UHFFFAOYSA-N
XLogP4.54
TPSA67.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-ethyl-N-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-6-(1,2,3,6-tetrahydropyridin-4-yl)imidazo[1,2-b]pyridazin-3-amine with MolForge

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Related Compounds

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N-[[2-ethyl-6-(1,2,3,6-tetrahydropyridin-4-yl)imidazo[1,2-a]pyridin-3-yl]methyl]-4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
CID 142772360
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CID 142772364
2-(2-chloroethyl)-4-(4-fluorophenyl)-1,3-thiazole
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2-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-b]pyridazin-6-yl]piperidin-1-yl]-N-methylacetamide
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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-6-(1,2,3,6-tetrahydropyridin-4-yl)imidazo[1,2-b]pyridazin-3-amine?
The IUPAC name of 2-ethyl-N-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-6-(1,2,3,6-tetrahydropyridin-4-yl)imidazo[1,2-b]pyridazin-3-amine (CID 140869449) is 2-ethyl-N-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-6-(1,2,3,6-tetrahydropyridin-4-yl)imidazo[1,2-b]pyridazin-3-amine.
What is the SMILES notation for 2-ethyl-N-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-6-(1,2,3,6-tetrahydropyridin-4-yl)imidazo[1,2-b]pyridazin-3-amine?
The canonical SMILES for 2-ethyl-N-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-6-(1,2,3,6-tetrahydropyridin-4-yl)imidazo[1,2-b]pyridazin-3-amine is CCc1nc2ccc(C3=CCNCC3)nn2c1NCc1nc(-c2ccc(F)cc2)cs1.
What is the InChIKey of 2-ethyl-N-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-6-(1,2,3,6-tetrahydropyridin-4-yl)imidazo[1,2-b]pyridazin-3-amine?
The InChIKey is FDAAXOCSALBNLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN6S/c1-2-18-23(26-13-22-28-20(14-31-22)15-3-5-17(24)6-4-15)30-21(27-18)8-7-19(29-30)16-9-11-25-12-10-16/h3-9,14,25-26H,2,10-13H2,1H3.
What are the key properties of 2-ethyl-N-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-6-(1,2,3,6-tetrahydropyridin-4-yl)imidazo[1,2-b]pyridazin-3-amine?
2-ethyl-N-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-6-(1,2,3,6-tetrahydropyridin-4-yl)imidazo[1,2-b]pyridazin-3-amine has a molecular weight of 434.54 g/mol, XLogP of 4.54, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-6-(1,2,3,6-tetrahydropyridin-4-yl)imidazo[1,2-b]pyridazin-3-amine is sourced from PubChem (CID 140869449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).