ethyl 5-[[(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)methylamino]methyl]-1-(1-methyl-2-oxoquinolin-4-yl)pyrazole-4-carboxylate

C24H24N6O3S — CID 42431665

IUPACethyl 5-[[(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)methylamino]methyl]-1-(1-methyl-2-oxoquinolin-4-yl)pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2cc(=O)n(C)c3ccccc23)c1CNCc1cn2cc(C)sc2n1
InChIInChI=1S/C24H24N6O3S/c1-4-33-23(32)18-11-26-30(20-9-22(31)28(3)19-8-6-5-7-17(19)20)21(18)12-25-10-16-14-29-13-15(2)34-24(29)27-16/h5-9,11,13-14,25H,4,10,12H2,1-3H3
InChIKeyCZRLJMLGOYZIAS-UHFFFAOYSA-N
MW476.56 g/mol
LogP3.21
Rot. Bonds7

About ethyl 5-[[(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)methylamino]methyl]-1-(1-methyl-2-oxoquinolin-4-yl)pyrazole-4-carboxylate

ethyl 5-[[(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)methylamino]methyl]-1-(1-methyl-2-oxoquinolin-4-yl)pyrazole-4-carboxylate (PubChem CID 42431665) has the molecular formula C24H24N6O3S and a molecular weight of 476.56 g/mol. Its IUPAC name is ethyl 5-[[(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)methylamino]methyl]-1-(1-methyl-2-oxoquinolin-4-yl)pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-[[(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)methylamino]methyl]-1-(1-methyl-2-oxoquinolin-4-yl)pyrazole-4-carboxylate
PubChem CID42431665
Molecular FormulaC24H24N6O3S
Molecular Weight476.56 g/mol
Exact Mass476.16
IUPAC Nameethyl 5-[[(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)methylamino]methyl]-1-(1-methyl-2-oxoquinolin-4-yl)pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2cc(=O)n(C)c3ccccc23)c1CNCc1cn2cc(C)sc2n1
InChIInChI=1S/C24H24N6O3S/c1-4-33-23(32)18-11-26-30(20-9-22(31)28(3)19-8-6-5-7-17(19)20)21(18)12-25-10-16-14-29-13-15(2)34-24(29)27-16/h5-9,11,13-14,25H,4,10,12H2,1-3H3
InChIKeyCZRLJMLGOYZIAS-UHFFFAOYSA-N
XLogP3.21
TPSA95.45 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.56
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze ethyl 5-[[(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)methylamino]methyl]-1-(1-methyl-2-oxoquinolin-4-yl)pyrazole-4-carboxylate with MolForge

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Related Compounds

ethyl 1-(1-methyl-2-oxoquinolin-4-yl)-5-[(oxolan-2-ylmethylamino)methyl]pyrazole-4-carboxylate
CID 45201297
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CID 26276113
ethyl 1-(1-methyl-2-oxoquinolin-4-yl)-5-[(1,2,3,4-tetrahydronaphthalen-1-ylamino)methyl]pyrazole-4-carboxylate
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CID 26341960
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CID 126464531
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ethyl 1-(2-chlorophenyl)-5-[[(1,3,5-trimethylpyrazol-4-yl)methylamino]methyl]pyrazole-4-carboxylate
CID 26280608
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CID 23826495
ethyl 2-(azepan-1-yl)-9-methylcarbazole-3-carboxylate
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ethyl 1-methyl-5-[(thiophen-3-ylmethylamino)methyl]pyrazole-4-carboxylate
CID 116631165
ethyl 1-methyl-5-[[(3-methylthiophen-2-yl)methylamino]methyl]pyrazole-4-carboxylate
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Frequently Asked Questions

What is the IUPAC name of ethyl 5-[[(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)methylamino]methyl]-1-(1-methyl-2-oxoquinolin-4-yl)pyrazole-4-carboxylate?
The IUPAC name of ethyl 5-[[(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)methylamino]methyl]-1-(1-methyl-2-oxoquinolin-4-yl)pyrazole-4-carboxylate (CID 42431665) is ethyl 5-[[(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)methylamino]methyl]-1-(1-methyl-2-oxoquinolin-4-yl)pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 5-[[(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)methylamino]methyl]-1-(1-methyl-2-oxoquinolin-4-yl)pyrazole-4-carboxylate?
The canonical SMILES for ethyl 5-[[(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)methylamino]methyl]-1-(1-methyl-2-oxoquinolin-4-yl)pyrazole-4-carboxylate is CCOC(=O)c1cnn(-c2cc(=O)n(C)c3ccccc23)c1CNCc1cn2cc(C)sc2n1.
What is the InChIKey of ethyl 5-[[(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)methylamino]methyl]-1-(1-methyl-2-oxoquinolin-4-yl)pyrazole-4-carboxylate?
The InChIKey is CZRLJMLGOYZIAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O3S/c1-4-33-23(32)18-11-26-30(20-9-22(31)28(3)19-8-6-5-7-17(19)20)21(18)12-25-10-16-14-29-13-15(2)34-24(29)27-16/h5-9,11,13-14,25H,4,10,12H2,1-3H3.
What are the key properties of ethyl 5-[[(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)methylamino]methyl]-1-(1-methyl-2-oxoquinolin-4-yl)pyrazole-4-carboxylate?
ethyl 5-[[(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)methylamino]methyl]-1-(1-methyl-2-oxoquinolin-4-yl)pyrazole-4-carboxylate has a molecular weight of 476.56 g/mol, XLogP of 3.21, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[[(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)methylamino]methyl]-1-(1-methyl-2-oxoquinolin-4-yl)pyrazole-4-carboxylate is sourced from PubChem (CID 42431665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).