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

C26H30FN7S2 — CID 122422173

IUPACN-[2-ethyl-6-(3-thiomorpholin-4-ylpyrrolidin-1-yl)imidazo[1,2-b]pyridazin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine
SMILESCCc1nc2ccc(N3CCC(N4CCSCC4)C3)nn2c1N(C)c1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C26H30FN7S2/c1-3-21-25(31(2)26-29-22(17-36-26)18-4-6-19(27)7-5-18)34-23(28-21)8-9-24(30-34)33-11-10-20(16-33)32-12-14-35-15-13-32/h4-9,17,20H,3,10-16H2,1-2H3
InChIKeyNFEXADPKDOHIHA-UHFFFAOYSA-N
MW523.71 g/mol
LogP4.95
Rot. Bonds6

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

N-[2-ethyl-6-(3-thiomorpholin-4-ylpyrrolidin-1-yl)imidazo[1,2-b]pyridazin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine (PubChem CID 122422173) has the molecular formula C26H30FN7S2 and a molecular weight of 523.71 g/mol. Its IUPAC name is N-[2-ethyl-6-(3-thiomorpholin-4-ylpyrrolidin-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-thiomorpholin-4-ylpyrrolidin-1-yl)imidazo[1,2-b]pyridazin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine
PubChem CID122422173
Molecular FormulaC26H30FN7S2
Molecular Weight523.71 g/mol
Exact Mass523.20
IUPAC NameN-[2-ethyl-6-(3-thiomorpholin-4-ylpyrrolidin-1-yl)imidazo[1,2-b]pyridazin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine
SMILESCCc1nc2ccc(N3CCC(N4CCSCC4)C3)nn2c1N(C)c1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C26H30FN7S2/c1-3-21-25(31(2)26-29-22(17-36-26)18-4-6-19(27)7-5-18)34-23(28-21)8-9-24(30-34)33-11-10-20(16-33)32-12-14-35-15-13-32/h4-9,17,20H,3,10-16H2,1-2H3
InChIKeyNFEXADPKDOHIHA-UHFFFAOYSA-N
XLogP4.95
TPSA52.80 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.71
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-ethyl-6-(3-thiomorpholin-4-ylpyrrolidin-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-thiomorpholin-4-ylpyrrolidin-1-yl)imidazo[1,2-b]pyridazin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine (CID 122422173) is N-[2-ethyl-6-(3-thiomorpholin-4-ylpyrrolidin-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-thiomorpholin-4-ylpyrrolidin-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-thiomorpholin-4-ylpyrrolidin-1-yl)imidazo[1,2-b]pyridazin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine is CCc1nc2ccc(N3CCC(N4CCSCC4)C3)nn2c1N(C)c1nc(-c2ccc(F)cc2)cs1.
What is the InChIKey of N-[2-ethyl-6-(3-thiomorpholin-4-ylpyrrolidin-1-yl)imidazo[1,2-b]pyridazin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine?
The InChIKey is NFEXADPKDOHIHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30FN7S2/c1-3-21-25(31(2)26-29-22(17-36-26)18-4-6-19(27)7-5-18)34-23(28-21)8-9-24(30-34)33-11-10-20(16-33)32-12-14-35-15-13-32/h4-9,17,20H,3,10-16H2,1-2H3.
What are the key properties of N-[2-ethyl-6-(3-thiomorpholin-4-ylpyrrolidin-1-yl)imidazo[1,2-b]pyridazin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine?
N-[2-ethyl-6-(3-thiomorpholin-4-ylpyrrolidin-1-yl)imidazo[1,2-b]pyridazin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine has a molecular weight of 523.71 g/mol, XLogP of 4.95, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-ethyl-6-(3-thiomorpholin-4-ylpyrrolidin-1-yl)imidazo[1,2-b]pyridazin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 122422173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).