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

C24H28FN7OS — CID 123680060

IUPACN-[2-ethyl-6-[3-(methoxymethyl)piperazin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine
SMILESCCc1nc2ccc(N3CCNC(COC)C3)nn2c1N(C)c1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C24H28FN7OS/c1-4-19-23(30(2)24-28-20(15-34-24)16-5-7-17(25)8-6-16)32-21(27-19)9-10-22(29-32)31-12-11-26-18(13-31)14-33-3/h5-10,15,18,26H,4,11-14H2,1-3H3
InChIKeyAXEKZZAIUSCADB-UHFFFAOYSA-N
MW481.60 g/mol
LogP3.75
Rot. Bonds7

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

N-[2-ethyl-6-[3-(methoxymethyl)piperazin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine (PubChem CID 123680060) has the molecular formula C24H28FN7OS and a molecular weight of 481.60 g/mol. Its IUPAC name is N-[2-ethyl-6-[3-(methoxymethyl)piperazin-1-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-[3-(methoxymethyl)piperazin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine
PubChem CID123680060
Molecular FormulaC24H28FN7OS
Molecular Weight481.60 g/mol
Exact Mass481.21
IUPAC NameN-[2-ethyl-6-[3-(methoxymethyl)piperazin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine
SMILESCCc1nc2ccc(N3CCNC(COC)C3)nn2c1N(C)c1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C24H28FN7OS/c1-4-19-23(30(2)24-28-20(15-34-24)16-5-7-17(25)8-6-16)32-21(27-19)9-10-22(29-32)31-12-11-26-18(13-31)14-33-3/h5-10,15,18,26H,4,11-14H2,1-3H3
InChIKeyAXEKZZAIUSCADB-UHFFFAOYSA-N
XLogP3.75
TPSA70.82 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.60
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[2-ethyl-6-[3-(methoxymethyl)piperazin-1-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-[3-(methoxymethyl)piperazin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine (CID 123680060) is N-[2-ethyl-6-[3-(methoxymethyl)piperazin-1-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-[3-(methoxymethyl)piperazin-1-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-[3-(methoxymethyl)piperazin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine is CCc1nc2ccc(N3CCNC(COC)C3)nn2c1N(C)c1nc(-c2ccc(F)cc2)cs1.
What is the InChIKey of N-[2-ethyl-6-[3-(methoxymethyl)piperazin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine?
The InChIKey is AXEKZZAIUSCADB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN7OS/c1-4-19-23(30(2)24-28-20(15-34-24)16-5-7-17(25)8-6-16)32-21(27-19)9-10-22(29-32)31-12-11-26-18(13-31)14-33-3/h5-10,15,18,26H,4,11-14H2,1-3H3.
What are the key properties of N-[2-ethyl-6-[3-(methoxymethyl)piperazin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine?
N-[2-ethyl-6-[3-(methoxymethyl)piperazin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine has a molecular weight of 481.60 g/mol, XLogP of 3.75, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-ethyl-6-[3-(methoxymethyl)piperazin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 123680060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).