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

C46H48F2N12S2 — CID 157479266

IUPACN-(2-ethyl-6-piperidin-4-ylimidazo[1,2-b]pyridazin-3-yl)-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine;N-[2-ethyl-6-(1,2,3,6-tetrahydropyridin-4-yl)imidazo[1,2-b]pyridazin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine
SMILESCCc1nc2ccc(C3=CCNCC3)nn2c1N(C)c1nc(-c2ccc(F)cc2)cs1.CCc1nc2ccc(C3CCNCC3)nn2c1N(C)c1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C23H25FN6S.C23H23FN6S/c2*1-3-18-22(29(2)23-27-20(14-31-23)15-4-6-17(24)7-5-15)30-21(26-18)9-8-19(28-30)16-10-12-25-13-11-16/h4-9,14,16,25H,3,10-13H2,1-2H3;4-10,14,25H,3,11-13H2,1-2H3
InChIKeyBVYUHYJGHAKJEL-UHFFFAOYSA-N
MW871.10 g/mol
LogP9.49
Rot. Bonds10

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

N-(2-ethyl-6-piperidin-4-ylimidazo[1,2-b]pyridazin-3-yl)-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine;N-[2-ethyl-6-(1,2,3,6-tetrahydropyridin-4-yl)imidazo[1,2-b]pyridazin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine (PubChem CID 157479266) has the molecular formula C46H48F2N12S2 and a molecular weight of 871.10 g/mol. Its IUPAC name is N-(2-ethyl-6-piperidin-4-ylimidazo[1,2-b]pyridazin-3-yl)-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine;N-[2-ethyl-6-(1,2,3,6-tetrahydropyridin-4-yl)imidazo[1,2-b]pyridazin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(2-ethyl-6-piperidin-4-ylimidazo[1,2-b]pyridazin-3-yl)-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine;N-[2-ethyl-6-(1,2,3,6-tetrahydropyridin-4-yl)imidazo[1,2-b]pyridazin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine
PubChem CID157479266
Molecular FormulaC46H48F2N12S2
Molecular Weight871.10 g/mol
Exact Mass870.35
IUPAC NameN-(2-ethyl-6-piperidin-4-ylimidazo[1,2-b]pyridazin-3-yl)-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine;N-[2-ethyl-6-(1,2,3,6-tetrahydropyridin-4-yl)imidazo[1,2-b]pyridazin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine
SMILESCCc1nc2ccc(C3=CCNCC3)nn2c1N(C)c1nc(-c2ccc(F)cc2)cs1.CCc1nc2ccc(C3CCNCC3)nn2c1N(C)c1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C23H25FN6S.C23H23FN6S/c2*1-3-18-22(29(2)23-27-20(14-31-23)15-4-6-17(24)7-5-15)30-21(26-18)9-8-19(28-30)16-10-12-25-13-11-16/h4-9,14,16,25H,3,10-13H2,1-2H3;4-10,14,25H,3,11-13H2,1-2H3
InChIKeyBVYUHYJGHAKJEL-UHFFFAOYSA-N
XLogP9.49
TPSA116.70 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds10
Heavy Atoms62
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500871.10
LogP ≤ 59.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

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

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Related Compounds

3-(3-((4-(4-Fluorophenyl) thiazol-2-yl)(methyl)amino)-6-(1-(methylsulfonyl) piperidin-4-yl)imidazo[1,2-b]pyridazin-2-yl)propanenitrile
CID 117762471
N-(2-ethyl-6-(4-morpholino-piperidin-1-yl) imidazo[1,2-b]pyridazin-3-yl)-4-(4-fluorophenyl)-N-methylthiazol-2-amine
CID 117762108
N-(1-(2-ethyl-3-((4-(4-fluorophenyl) thiazol-2-yl)(methyl)amino) imidazo[1,2-b]pyridazin-6-yl)pyrrolidin-3-yl)methane-sulfonamide
CID 117762992
N-(2-ethyl-6-(5-(methylsulfonyl) hexahydropyrrolo [3,4-c]pyrrol-2(1H)-yl)imidazo[1,2-b]pyridazin-3-yl)-4-(4-fluorophenyl)-N-methylthiazol-2-amine
CID 117763089
1-(2-(4-(2-Ethyl-3-((4-(4-fluorophenyl) thiazol-2-yl)(methyl)amino) imidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl)ethyl)pyrrolidin-2-one
CID 117763332
N-(6-(4-aminopiperidin-1-yl)-2-ethylimidazo[1,2-b]pyridazin-3-yl)-4-(4-fluorophenyl)-N-methylthiazol-2-amine
CID 117763363
(S)-(4-(2-ethyl-3-((4-(4-fluorophenyl) thiazol-2-yl)(methyl)amino) imidazo[1,2-b]pyridazin-6-yl)piperazin-2-yl)methanol
CID 117763380
2-(4-(2-Ethyl-3-((4-(4-fluorophenyl) thiazol-2-yl)(methyl)amino) imidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl)-1-(pyrrolidin-1-yl)ethanone
CID 117763384
[1-(2-Ethyl-3-{[4-(4-fluoro-phenyl)-thiazol-2-yl]-methyl-amino}-imidazo[1,2-b]pyridazin-6-yl)-piperidin-3-ylmethyl]-carbamic acid tert-butyl ester
CID 117763493
N-(6-(5-(3-(dimethylamino) propylsulfonyl) hexahydropyrrolo [3,4-c]pyrrol-2(1H)-yl)-2-ethylimidazo[1,2-b]pyridazin-3-yl)-4-(4-fluorophenyl)-N-methylthiazol-2-amine
CID 117763595
N-(2-(4-(2-ethyl-3-((4-(4-fluorophenyl) thiazol-2-yl)(methyl)amino) imidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl)ethyl)acetamide
CID 117763691
N-(1-(2-ethyl-3-((4-(4-fluorophenyl) thiazol-2-yl)(methyl)amino) imidazo[1,2-b]pyridazin-6-yl)piperidin-4-yl)methane-sulfonamide
CID 117763738

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-6-piperidin-4-ylimidazo[1,2-b]pyridazin-3-yl)-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine;N-[2-ethyl-6-(1,2,3,6-tetrahydropyridin-4-yl)imidazo[1,2-b]pyridazin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine?
The IUPAC name of N-(2-ethyl-6-piperidin-4-ylimidazo[1,2-b]pyridazin-3-yl)-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine;N-[2-ethyl-6-(1,2,3,6-tetrahydropyridin-4-yl)imidazo[1,2-b]pyridazin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine (CID 157479266) is N-(2-ethyl-6-piperidin-4-ylimidazo[1,2-b]pyridazin-3-yl)-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine;N-[2-ethyl-6-(1,2,3,6-tetrahydropyridin-4-yl)imidazo[1,2-b]pyridazin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-(2-ethyl-6-piperidin-4-ylimidazo[1,2-b]pyridazin-3-yl)-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine;N-[2-ethyl-6-(1,2,3,6-tetrahydropyridin-4-yl)imidazo[1,2-b]pyridazin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine?
The canonical SMILES for N-(2-ethyl-6-piperidin-4-ylimidazo[1,2-b]pyridazin-3-yl)-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine;N-[2-ethyl-6-(1,2,3,6-tetrahydropyridin-4-yl)imidazo[1,2-b]pyridazin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine is CCc1nc2ccc(C3=CCNCC3)nn2c1N(C)c1nc(-c2ccc(F)cc2)cs1.CCc1nc2ccc(C3CCNCC3)nn2c1N(C)c1nc(-c2ccc(F)cc2)cs1.
What is the InChIKey of N-(2-ethyl-6-piperidin-4-ylimidazo[1,2-b]pyridazin-3-yl)-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine;N-[2-ethyl-6-(1,2,3,6-tetrahydropyridin-4-yl)imidazo[1,2-b]pyridazin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine?
The InChIKey is BVYUHYJGHAKJEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN6S.C23H23FN6S/c2*1-3-18-22(29(2)23-27-20(14-31-23)15-4-6-17(24)7-5-15)30-21(26-18)9-8-19(28-30)16-10-12-25-13-11-16/h4-9,14,16,25H,3,10-13H2,1-2H3;4-10,14,25H,3,11-13H2,1-2H3.
What are the key properties of N-(2-ethyl-6-piperidin-4-ylimidazo[1,2-b]pyridazin-3-yl)-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine;N-[2-ethyl-6-(1,2,3,6-tetrahydropyridin-4-yl)imidazo[1,2-b]pyridazin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine?
N-(2-ethyl-6-piperidin-4-ylimidazo[1,2-b]pyridazin-3-yl)-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine;N-[2-ethyl-6-(1,2,3,6-tetrahydropyridin-4-yl)imidazo[1,2-b]pyridazin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine has a molecular weight of 871.10 g/mol, XLogP of 9.49, 10 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-6-piperidin-4-ylimidazo[1,2-b]pyridazin-3-yl)-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine;N-[2-ethyl-6-(1,2,3,6-tetrahydropyridin-4-yl)imidazo[1,2-b]pyridazin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 157479266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).