N-[6-[(6-acetamido-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]sulfanyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl]cyclopropanecarboxamide;N-[6-[[6-(2-hydroxyethylcarbamoylamino)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[[6-(3-hydroxypropanoylamino)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[[6-(3-methoxypropanoylamino)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide

C96H91N41O13S5 — CID 157424263

IUPACN-[6-[(6-acetamido-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]sulfanyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl]cyclopropanecarboxamide;N-[6-[[6-(2-hydroxyethylcarbamoylamino)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[[6-(3-hydroxypropanoylamino)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[[6-(3-methoxypropanoylamino)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide
SMILESCC(=O)Nc1ccc2nnc(Sc3ccc4nc(NC(=O)C5CC5)cn4n3)n2c1.COCCC(=O)Nc1ccc2nnc(Sc3ccc4nc(NC(=O)C5CC5)cn4n3)n2c1.O=C(CCO)Nc1ccc2nnc(Sc3ccc4nc(NC(=O)C5CC5)cn4n3)n2c1.O=C(NCCO)Nc1ccc2nnc(Sc3ccc4nc(NC(=O)C5CC5)cn4n3)n2c1.O=C(Nc1ccc2nnc(Sc3ccc4nc(NC(=O)C5CC5)cn4n3)n2c1)C1CC1
InChIInChI=1S/C20H20N8O3S.C20H18N8O2S.C19H19N9O3S.C19H18N8O3S.C18H16N8O2S/c1-31-9-8-17(29)21-13-4-5-16-24-25-20(27(16)10-13)32-18-7-6-15-22-14(11-28(15)26-18)23-19(30)12-2-3-12;29-18(11-1-2-11)21-13-5-6-16-24-25-20(27(16)9-13)31-17-8-7-15-22-14(10-28(15)26-17)23-19(30)12-3-4-12;29-8-7-20-18(31)21-12-3-4-15-24-25-19(27(15)9-12)32-16-6-5-14-22-13(10-28(14)26-16)23-17(30)11-1-2-11;28-8-7-16(29)20-12-3-4-15-23-24-19(26(15)9-12)31-17-6-5-14-21-13(10-27(14)25-17)22-18(30)11-1-2-11;1-10(27)19-12-4-5-15-22-23-18(25(15)8-12)29-16-7-6-14-20-13(9-26(14)24-16)21-17(28)11-2-3-11/h4-7,10-12H,2-3,8-9H2,1H3,(H,21,29)(H,23,30);5-12H,1-4H2,(H,21,29)(H,23,30);3-6,9-11,29H,1-2,7-8H2,(H,23,30)(H2,20,21,31);3-6,9-11,28H,1-2,7-8H2,(H,20,29)(H,22,30);4-9,11H,2-3H2,1H3,(H,19,27)(H,21,28)
InChIKeyBPTUMBPCFGAPIE-UHFFFAOYSA-N
MW2187.39 g/mol
LogP10.08
Rot. Bonds33

About N-[6-[(6-acetamido-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]sulfanyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl]cyclopropanecarboxamide;N-[6-[[6-(2-hydroxyethylcarbamoylamino)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[[6-(3-hydroxypropanoylamino)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[[6-(3-methoxypropanoylamino)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide

N-[6-[(6-acetamido-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]sulfanyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl]cyclopropanecarboxamide;N-[6-[[6-(2-hydroxyethylcarbamoylamino)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[[6-(3-hydroxypropanoylamino)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[[6-(3-methoxypropanoylamino)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide (PubChem CID 157424263) has the molecular formula C96H91N41O13S5 and a molecular weight of 2187.39 g/mol. Its IUPAC name is N-[6-[(6-acetamido-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]sulfanyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl]cyclopropanecarboxamide;N-[6-[[6-(2-hydroxyethylcarbamoylamino)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[[6-(3-hydroxypropanoylamino)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[[6-(3-methoxypropanoylamino)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[6-[(6-acetamido-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]sulfanyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl]cyclopropanecarboxamide;N-[6-[[6-(2-hydroxyethylcarbamoylamino)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[[6-(3-hydroxypropanoylamino)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[[6-(3-methoxypropanoylamino)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide
PubChem CID157424263
Molecular FormulaC96H91N41O13S5
Molecular Weight2187.39 g/mol
Exact Mass2185.63
IUPAC NameN-[6-[(6-acetamido-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]sulfanyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl]cyclopropanecarboxamide;N-[6-[[6-(2-hydroxyethylcarbamoylamino)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[[6-(3-hydroxypropanoylamino)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[[6-(3-methoxypropanoylamino)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide
SMILESCC(=O)Nc1ccc2nnc(Sc3ccc4nc(NC(=O)C5CC5)cn4n3)n2c1.COCCC(=O)Nc1ccc2nnc(Sc3ccc4nc(NC(=O)C5CC5)cn4n3)n2c1.O=C(CCO)Nc1ccc2nnc(Sc3ccc4nc(NC(=O)C5CC5)cn4n3)n2c1.O=C(NCCO)Nc1ccc2nnc(Sc3ccc4nc(NC(=O)C5CC5)cn4n3)n2c1.O=C(Nc1ccc2nnc(Sc3ccc4nc(NC(=O)C5CC5)cn4n3)n2c1)C1CC1
InChIInChI=1S/C20H20N8O3S.C20H18N8O2S.C19H19N9O3S.C19H18N8O3S.C18H16N8O2S/c1-31-9-8-17(29)21-13-4-5-16-24-25-20(27(16)10-13)32-18-7-6-15-22-14(11-28(15)26-18)23-19(30)12-2-3-12;29-18(11-1-2-11)21-13-5-6-16-24-25-20(27(16)9-13)31-17-8-7-15-22-14(10-28(15)26-17)23-19(30)12-3-4-12;29-8-7-20-18(31)21-12-3-4-15-24-25-19(27(15)9-12)32-16-6-5-14-22-13(10-28(14)26-16)23-17(30)11-1-2-11;28-8-7-16(29)20-12-3-4-15-23-24-19(26(15)9-12)31-17-6-5-14-21-13(10-27(14)25-17)22-18(30)11-1-2-11;1-10(27)19-12-4-5-15-22-23-18(25(15)8-12)29-16-7-6-14-20-13(9-26(14)24-16)21-17(28)11-2-3-11/h4-7,10-12H,2-3,8-9H2,1H3,(H,21,29)(H,23,30);5-12H,1-4H2,(H,21,29)(H,23,30);3-6,9-11,29H,1-2,7-8H2,(H,23,30)(H2,20,21,31);3-6,9-11,28H,1-2,7-8H2,(H,20,29)(H,22,30);4-9,11H,2-3H2,1H3,(H,19,27)(H,21,28)
InChIKeyBPTUMBPCFGAPIE-UHFFFAOYSA-N
XLogP10.08
TPSA654.62 Ų
H-Bond Donors13
H-Bond Acceptors48
Rotatable Bonds33
Heavy Atoms155
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002187.39
LogP ≤ 510.08
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1048

Analyze N-[6-[(6-acetamido-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]sulfanyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl]cyclopropanecarboxamide;N-[6-[[6-(2-hydroxyethylcarbamoylamino)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[[6-(3-hydroxypropanoylamino)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[[6-(3-methoxypropanoylamino)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide with MolForge

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Related Compounds

3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]sulfanyl-N-(2-hydroxyethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 59233152
N-[6-[(6-methoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide
CID 59233255
3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]sulfanyl-N-(2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 59233137
N-[6-[[6-[[3-(methylamino)cyclopentyl]amino]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide
CID 59233234
N-[6-[[6-(N'-hydroxycarbamimidoyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide
CID 136629572
N-[6-[[6-(aminomethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[[6-(ethylaminomethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[[6-(methylaminomethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[[6-(propylaminomethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide
CID 159166985
N-[6-[(7-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide
CID 59233225
N-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)cyclopropanecarboxamide
CID 53014288
N-[6-[1-[6-[5-(hydroxymethyl)-1,2,4-oxadiazol-3-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide
CID 59233166
CID 159867427
CID 159867427
4-[6-(cyclobutanecarbonylamino)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-N-propan-2-ylbenzamide
CID 53159880
N-[6-[1-[6-[1-(2-hydroxyethyl)pyrazol-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[1-[6-[5-(hydroxymethyl)-1,2,4-oxadiazol-3-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[1-[6-[5-(hydroxymethyl)-1H-1,2,4-triazol-3-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[1-[6-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide
CID 160779058

Frequently Asked Questions

What is the IUPAC name of N-[6-[(6-acetamido-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]sulfanyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl]cyclopropanecarboxamide;N-[6-[[6-(2-hydroxyethylcarbamoylamino)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[[6-(3-hydroxypropanoylamino)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[[6-(3-methoxypropanoylamino)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[6-[(6-acetamido-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]sulfanyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl]cyclopropanecarboxamide;N-[6-[[6-(2-hydroxyethylcarbamoylamino)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[[6-(3-hydroxypropanoylamino)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[[6-(3-methoxypropanoylamino)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide (CID 157424263) is N-[6-[(6-acetamido-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]sulfanyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl]cyclopropanecarboxamide;N-[6-[[6-(2-hydroxyethylcarbamoylamino)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[[6-(3-hydroxypropanoylamino)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[[6-(3-methoxypropanoylamino)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[6-[(6-acetamido-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]sulfanyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl]cyclopropanecarboxamide;N-[6-[[6-(2-hydroxyethylcarbamoylamino)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[[6-(3-hydroxypropanoylamino)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[[6-(3-methoxypropanoylamino)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[6-[(6-acetamido-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]sulfanyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl]cyclopropanecarboxamide;N-[6-[[6-(2-hydroxyethylcarbamoylamino)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[[6-(3-hydroxypropanoylamino)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[[6-(3-methoxypropanoylamino)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide is CC(=O)Nc1ccc2nnc(Sc3ccc4nc(NC(=O)C5CC5)cn4n3)n2c1.COCCC(=O)Nc1ccc2nnc(Sc3ccc4nc(NC(=O)C5CC5)cn4n3)n2c1.O=C(CCO)Nc1ccc2nnc(Sc3ccc4nc(NC(=O)C5CC5)cn4n3)n2c1.O=C(NCCO)Nc1ccc2nnc(Sc3ccc4nc(NC(=O)C5CC5)cn4n3)n2c1.O=C(Nc1ccc2nnc(Sc3ccc4nc(NC(=O)C5CC5)cn4n3)n2c1)C1CC1.
What is the InChIKey of N-[6-[(6-acetamido-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]sulfanyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl]cyclopropanecarboxamide;N-[6-[[6-(2-hydroxyethylcarbamoylamino)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[[6-(3-hydroxypropanoylamino)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[[6-(3-methoxypropanoylamino)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide?
The InChIKey is BPTUMBPCFGAPIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N8O3S.C20H18N8O2S.C19H19N9O3S.C19H18N8O3S.C18H16N8O2S/c1-31-9-8-17(29)21-13-4-5-16-24-25-20(27(16)10-13)32-18-7-6-15-22-14(11-28(15)26-18)23-19(30)12-2-3-12;29-18(11-1-2-11)21-13-5-6-16-24-25-20(27(16)9-13)31-17-8-7-15-22-14(10-28(15)26-17)23-19(30)12-3-4-12;29-8-7-20-18(31)21-12-3-4-15-24-25-19(27(15)9-12)32-16-6-5-14-22-13(10-28(14)26-16)23-17(30)11-1-2-11;28-8-7-16(29)20-12-3-4-15-23-24-19(26(15)9-12)31-17-6-5-14-21-13(10-27(14)25-17)22-18(30)11-1-2-11;1-10(27)19-12-4-5-15-22-23-18(25(15)8-12)29-16-7-6-14-20-13(9-26(14)24-16)21-17(28)11-2-3-11/h4-7,10-12H,2-3,8-9H2,1H3,(H,21,29)(H,23,30);5-12H,1-4H2,(H,21,29)(H,23,30);3-6,9-11,29H,1-2,7-8H2,(H,23,30)(H2,20,21,31);3-6,9-11,28H,1-2,7-8H2,(H,20,29)(H,22,30);4-9,11H,2-3H2,1H3,(H,19,27)(H,21,28).
What are the key properties of N-[6-[(6-acetamido-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]sulfanyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl]cyclopropanecarboxamide;N-[6-[[6-(2-hydroxyethylcarbamoylamino)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[[6-(3-hydroxypropanoylamino)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[[6-(3-methoxypropanoylamino)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide?
N-[6-[(6-acetamido-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]sulfanyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl]cyclopropanecarboxamide;N-[6-[[6-(2-hydroxyethylcarbamoylamino)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[[6-(3-hydroxypropanoylamino)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[[6-(3-methoxypropanoylamino)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide has a molecular weight of 2187.39 g/mol, XLogP of 10.08, 33 rotatable bonds, 13 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(6-acetamido-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]sulfanyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl]cyclopropanecarboxamide;N-[6-[[6-(2-hydroxyethylcarbamoylamino)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[[6-(3-hydroxypropanoylamino)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[[6-(3-methoxypropanoylamino)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 157424263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).