N-[5-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]oxy-2-methylphenyl]-4-methoxy-2-methyl-4,5-dihydro-1,3-thiazole-5-carboxamide

C23H24N6O4S — CID 70875087

IUPACN-[5-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]oxy-2-methylphenyl]-4-methoxy-2-methyl-4,5-dihydro-1,3-thiazole-5-carboxamide
SMILESCOC1N=C(C)SC1C(=O)Nc1cc(Oc2ccc3nc(NC(=O)C4CC4)cn3n2)ccc1C
InChIInChI=1S/C23H24N6O4S/c1-12-4-7-15(10-16(12)25-22(31)20-23(32-3)24-13(2)34-20)33-19-9-8-18-26-17(11-29(18)28-19)27-21(30)14-5-6-14/h4,7-11,14,20,23H,5-6H2,1-3H3,(H,25,31)(H,27,30)
InChIKeyXSWAVAYJLFNNPU-UHFFFAOYSA-N
MW480.55 g/mol
LogP3.62
Rot. Bonds7

About N-[5-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]oxy-2-methylphenyl]-4-methoxy-2-methyl-4,5-dihydro-1,3-thiazole-5-carboxamide

N-[5-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]oxy-2-methylphenyl]-4-methoxy-2-methyl-4,5-dihydro-1,3-thiazole-5-carboxamide (PubChem CID 70875087) has the molecular formula C23H24N6O4S and a molecular weight of 480.55 g/mol. Its IUPAC name is N-[5-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]oxy-2-methylphenyl]-4-methoxy-2-methyl-4,5-dihydro-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[5-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]oxy-2-methylphenyl]-4-methoxy-2-methyl-4,5-dihydro-1,3-thiazole-5-carboxamide
PubChem CID70875087
Molecular FormulaC23H24N6O4S
Molecular Weight480.55 g/mol
Exact Mass480.16
IUPAC NameN-[5-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]oxy-2-methylphenyl]-4-methoxy-2-methyl-4,5-dihydro-1,3-thiazole-5-carboxamide
SMILESCOC1N=C(C)SC1C(=O)Nc1cc(Oc2ccc3nc(NC(=O)C4CC4)cn3n2)ccc1C
InChIInChI=1S/C23H24N6O4S/c1-12-4-7-15(10-16(12)25-22(31)20-23(32-3)24-13(2)34-20)33-19-9-8-18-26-17(11-29(18)28-19)27-21(30)14-5-6-14/h4,7-11,14,20,23H,5-6H2,1-3H3,(H,25,31)(H,27,30)
InChIKeyXSWAVAYJLFNNPU-UHFFFAOYSA-N
XLogP3.62
TPSA119.21 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.55
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

N-[5-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]oxy-2-methylphenyl]-1-ethyl-3-methylpyrazole-4-carboxamide
CID 71125471
N-[5-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]oxy-2-fluorophenyl]-2,5-dimethylpyrazole-3-carboxamide
CID 24767979
N-[5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)-2-methylphenyl]cyclopropanecarboxamide
CID 16824889
N-[6-[4-methyl-3-[2-oxo-2-[4-(piperidin-1-ylmethyl)phenyl]ethyl]phenoxy]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide
CID 159570415
N-[5-[[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]oxy]-2-methylphenyl]-2,5-dimethylpyrazole-3-carboxamide
CID 25127857
N-[6-[3-[(3-chlorophenyl)methylamino]phenoxy]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide
CID 143620601
N-[3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]oxyphenyl]-N-methyl-3-(trifluoromethoxy)benzamide
CID 162600212
[5-[[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]oxy]-2-methylphenyl] N-tert-butylcarbamate
CID 90775379
tert-butyl N-[6-(3-amino-4-methylphenoxy)imidazo[1,2-b]pyridazin-2-yl]carbamate;tert-butyl N-(6-iodoimidazo[1,2-b]pyridazin-2-yl)carbamate
CID 160816264
1-[[4-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]oxy-3-fluorophenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 70988540
N-[2-chloro-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]cyclopropanecarboxamide
CID 16886064
1-N'-tert-butyl-1-N-[4-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]oxy-3-fluorophenyl]cyclopropane-1,1-dicarboxamide
CID 143840304

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]oxy-2-methylphenyl]-4-methoxy-2-methyl-4,5-dihydro-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[5-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]oxy-2-methylphenyl]-4-methoxy-2-methyl-4,5-dihydro-1,3-thiazole-5-carboxamide (CID 70875087) is N-[5-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]oxy-2-methylphenyl]-4-methoxy-2-methyl-4,5-dihydro-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[5-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]oxy-2-methylphenyl]-4-methoxy-2-methyl-4,5-dihydro-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[5-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]oxy-2-methylphenyl]-4-methoxy-2-methyl-4,5-dihydro-1,3-thiazole-5-carboxamide is COC1N=C(C)SC1C(=O)Nc1cc(Oc2ccc3nc(NC(=O)C4CC4)cn3n2)ccc1C.
What is the InChIKey of N-[5-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]oxy-2-methylphenyl]-4-methoxy-2-methyl-4,5-dihydro-1,3-thiazole-5-carboxamide?
The InChIKey is XSWAVAYJLFNNPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O4S/c1-12-4-7-15(10-16(12)25-22(31)20-23(32-3)24-13(2)34-20)33-19-9-8-18-26-17(11-29(18)28-19)27-21(30)14-5-6-14/h4,7-11,14,20,23H,5-6H2,1-3H3,(H,25,31)(H,27,30).
What are the key properties of N-[5-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]oxy-2-methylphenyl]-4-methoxy-2-methyl-4,5-dihydro-1,3-thiazole-5-carboxamide?
N-[5-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]oxy-2-methylphenyl]-4-methoxy-2-methyl-4,5-dihydro-1,3-thiazole-5-carboxamide has a molecular weight of 480.55 g/mol, XLogP of 3.62, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]oxy-2-methylphenyl]-4-methoxy-2-methyl-4,5-dihydro-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 70875087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).