5-(6-amino-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-3-[1-(2-chlorophenyl)ethoxy]thiophene-2-carboxamide;3-[1-(2-chlorophenyl)ethoxy]-5-imidazo[1,2-a]pyridin-3-ylthiophene-2-carboxamide;3-[1-(2-chlorophenyl)ethoxy]-5-(5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)thiophene-2-carboxamide;3-[1-(2-chlorophenyl)ethoxy]-5-pyrazolo[1,5-a]pyridin-3-ylthiophene-2-carboxamide;3-[1-(2-chlorophenyl)ethoxy]-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)thiophene-2-carboxamide

C99H81Cl5N18O11S5 — CID 161255833

IUPAC5-(6-amino-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-3-[1-(2-chlorophenyl)ethoxy]thiophene-2-carboxamide;3-[1-(2-chlorophenyl)ethoxy]-5-imidazo[1,2-a]pyridin-3-ylthiophene-2-carboxamide;3-[1-(2-chlorophenyl)ethoxy]-5-(5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)thiophene-2-carboxamide;3-[1-(2-chlorophenyl)ethoxy]-5-pyrazolo[1,5-a]pyridin-3-ylthiophene-2-carboxamide;3-[1-(2-chlorophenyl)ethoxy]-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)thiophene-2-carboxamide
SMILESCC(Oc1cc(-c2cnc3[nH]ccc3c2)sc1C(N)=O)c1ccccc1Cl.CC(Oc1cc(-c2cnc3ccccn23)sc1C(N)=O)c1ccccc1Cl.CC(Oc1cc(-c2cnn3ccccc23)sc1C(N)=O)c1ccccc1Cl.CC(Oc1cc(-c2nnc3ccc(N)nn23)sc1C(N)=O)c1ccccc1Cl.COc1cnc2[nH]cc(-c3cc(OC(C)c4ccccc4Cl)c(C(N)=O)s3)c2c1
InChIInChI=1S/C21H18ClN3O3S.3C20H16ClN3O2S.C18H15ClN6O2S/c1-11(13-5-3-4-6-16(13)22)28-17-8-18(29-19(17)20(23)26)15-10-25-21-14(15)7-12(27-2)9-24-21;1-12(13-6-2-3-7-15(13)21)26-17-10-18(27-19(17)20(22)25)14-11-23-24-9-5-4-8-16(14)24;1-12(13-6-2-3-7-14(13)21)26-16-10-17(27-19(16)20(22)25)15-11-23-18-8-4-5-9-24(15)18;1-11(14-4-2-3-5-15(14)21)26-16-9-17(27-18(16)19(22)25)13-8-12-6-7-23-20(12)24-10-13;1-9(10-4-2-3-5-11(10)19)27-12-8-13(28-16(12)17(21)26)18-23-22-15-7-6-14(20)24-25(15)18/h3-11H,1-2H3,(H2,23,26)(H,24,25);2*2-12H,1H3,(H2,22,25);2-11H,1H3,(H2,22,25)(H,23,24);2-9H,1H3,(H2,20,24)(H2,21,26)
InChIKeyVBXAUNIWVQIUEH-UHFFFAOYSA-N
MW2036.45 g/mol
LogP23.61
Rot. Bonds26

About 5-(6-amino-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-3-[1-(2-chlorophenyl)ethoxy]thiophene-2-carboxamide;3-[1-(2-chlorophenyl)ethoxy]-5-imidazo[1,2-a]pyridin-3-ylthiophene-2-carboxamide;3-[1-(2-chlorophenyl)ethoxy]-5-(5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)thiophene-2-carboxamide;3-[1-(2-chlorophenyl)ethoxy]-5-pyrazolo[1,5-a]pyridin-3-ylthiophene-2-carboxamide;3-[1-(2-chlorophenyl)ethoxy]-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)thiophene-2-carboxamide

5-(6-amino-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-3-[1-(2-chlorophenyl)ethoxy]thiophene-2-carboxamide;3-[1-(2-chlorophenyl)ethoxy]-5-imidazo[1,2-a]pyridin-3-ylthiophene-2-carboxamide;3-[1-(2-chlorophenyl)ethoxy]-5-(5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)thiophene-2-carboxamide;3-[1-(2-chlorophenyl)ethoxy]-5-pyrazolo[1,5-a]pyridin-3-ylthiophene-2-carboxamide;3-[1-(2-chlorophenyl)ethoxy]-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)thiophene-2-carboxamide (PubChem CID 161255833) has the molecular formula C99H81Cl5N18O11S5 and a molecular weight of 2036.45 g/mol. Its IUPAC name is 5-(6-amino-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-3-[1-(2-chlorophenyl)ethoxy]thiophene-2-carboxamide;3-[1-(2-chlorophenyl)ethoxy]-5-imidazo[1,2-a]pyridin-3-ylthiophene-2-carboxamide;3-[1-(2-chlorophenyl)ethoxy]-5-(5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)thiophene-2-carboxamide;3-[1-(2-chlorophenyl)ethoxy]-5-pyrazolo[1,5-a]pyridin-3-ylthiophene-2-carboxamide;3-[1-(2-chlorophenyl)ethoxy]-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(6-amino-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-3-[1-(2-chlorophenyl)ethoxy]thiophene-2-carboxamide;3-[1-(2-chlorophenyl)ethoxy]-5-imidazo[1,2-a]pyridin-3-ylthiophene-2-carboxamide;3-[1-(2-chlorophenyl)ethoxy]-5-(5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)thiophene-2-carboxamide;3-[1-(2-chlorophenyl)ethoxy]-5-pyrazolo[1,5-a]pyridin-3-ylthiophene-2-carboxamide;3-[1-(2-chlorophenyl)ethoxy]-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)thiophene-2-carboxamide
PubChem CID161255833
Molecular FormulaC99H81Cl5N18O11S5
Molecular Weight2036.45 g/mol
Exact Mass2032.34
IUPAC Name5-(6-amino-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-3-[1-(2-chlorophenyl)ethoxy]thiophene-2-carboxamide;3-[1-(2-chlorophenyl)ethoxy]-5-imidazo[1,2-a]pyridin-3-ylthiophene-2-carboxamide;3-[1-(2-chlorophenyl)ethoxy]-5-(5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)thiophene-2-carboxamide;3-[1-(2-chlorophenyl)ethoxy]-5-pyrazolo[1,5-a]pyridin-3-ylthiophene-2-carboxamide;3-[1-(2-chlorophenyl)ethoxy]-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)thiophene-2-carboxamide
SMILESCC(Oc1cc(-c2cnc3[nH]ccc3c2)sc1C(N)=O)c1ccccc1Cl.CC(Oc1cc(-c2cnc3ccccn23)sc1C(N)=O)c1ccccc1Cl.CC(Oc1cc(-c2cnn3ccccc23)sc1C(N)=O)c1ccccc1Cl.CC(Oc1cc(-c2nnc3ccc(N)nn23)sc1C(N)=O)c1ccccc1Cl.COc1cnc2[nH]cc(-c3cc(OC(C)c4ccccc4Cl)c(C(N)=O)s3)c2c1
InChIInChI=1S/C21H18ClN3O3S.3C20H16ClN3O2S.C18H15ClN6O2S/c1-11(13-5-3-4-6-16(13)22)28-17-8-18(29-19(17)20(23)26)15-10-25-21-14(15)7-12(27-2)9-24-21;1-12(13-6-2-3-7-15(13)21)26-17-10-18(27-19(17)20(22)25)14-11-23-24-9-5-4-8-16(14)24;1-12(13-6-2-3-7-14(13)21)26-16-10-17(27-19(16)20(22)25)15-11-23-18-8-4-5-9-24(15)18;1-11(14-4-2-3-5-15(14)21)26-16-9-17(27-18(16)19(22)25)13-8-12-6-7-23-20(12)24-10-13;1-9(10-4-2-3-5-11(10)19)27-12-8-13(28-16(12)17(21)26)18-23-22-15-7-6-14(20)24-25(15)18/h3-11H,1-2H3,(H2,23,26)(H,24,25);2*2-12H,1H3,(H2,22,25);2-11H,1H3,(H2,22,25)(H,23,24);2-9H,1H3,(H2,20,24)(H2,21,26)
InChIKeyVBXAUNIWVQIUEH-UHFFFAOYSA-N
XLogP23.61
TPSA431.89 Ų
H-Bond Donors8
H-Bond Acceptors27
Rotatable Bonds26
Heavy Atoms138
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002036.45
LogP ≤ 523.61
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1027

Analyze 5-(6-amino-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-3-[1-(2-chlorophenyl)ethoxy]thiophene-2-carboxamide;3-[1-(2-chlorophenyl)ethoxy]-5-imidazo[1,2-a]pyridin-3-ylthiophene-2-carboxamide;3-[1-(2-chlorophenyl)ethoxy]-5-(5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)thiophene-2-carboxamide;3-[1-(2-chlorophenyl)ethoxy]-5-pyrazolo[1,5-a]pyridin-3-ylthiophene-2-carboxamide;3-[1-(2-chlorophenyl)ethoxy]-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)thiophene-2-carboxamide with MolForge

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Related Compounds

3-[5-carbamoyl-4-[1-(2-chlorophenyl)ethoxy]thiophen-2-yl]-N-methylimidazo[1,2-a]pyridine-6-carboxamide;3-[5-carbamoyl-4-[1-(2-chlorophenyl)ethoxy]thiophen-2-yl]-N-methylimidazo[1,2-a]pyridine-7-carboxamide;3-[1-(2-chlorophenyl)ethoxy]-5-(6-fluoroimidazo[1,2-a]pyridin-3-yl)thiophene-2-carboxamide;3-[1-(2-chlorophenyl)ethoxy]-5-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]thiophene-2-carboxamide
CID 157434800
3-[1-(2-chlorophenyl)ethoxy]-5-imidazo[1,2-a]pyridin-3-yl-N-methylthiophene-2-carboxamide;3-[1-(2-chlorophenyl)ethoxy]-5-[7-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]thiophene-2-carboxamide;ethyl N-[3-[5-carbamoyl-4-[1-(2-chlorophenyl)ethoxy]thiophen-2-yl]imidazo[1,2-a]pyridin-7-yl]carbamate
CID 158317845
3-[5-carbamoyl-4-[1-(2-chlorophenyl)ethoxy]thiophen-2-yl]-N-methylimidazo[1,2-a]pyridine-6-carboxamide;3-[5-carbamoyl-4-[1-(2-chlorophenyl)ethoxy]thiophen-2-yl]-N-methylimidazo[1,2-a]pyridine-7-carboxamide;3-[1-(2-chlorophenyl)ethoxy]-5-(6-fluoroimidazo[1,2-a]pyridin-3-yl)thiophene-2-carboxamide;3-[1-(2-chlorophenyl)ethoxy]-5-imidazo[1,2-a]pyrazin-3-ylthiophene-2-carboxamide;3-[1-(2-chlorophenyl)ethoxy]-5-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]thiophene-2-carboxamide
CID 158974158
5-(7-aminoimidazo[1,2-a]pyridin-3-yl)-3-[1-(2-chlorophenyl)ethoxy]thiophene-2-carboxamide;3-[1-(2-chlorophenyl)ethoxy]-5-imidazo[1,2-a]pyridin-3-yl-N-methylthiophene-2-carboxamide;3-[1-(2-chlorophenyl)ethoxy]-5-imidazo[1,2-b]pyridazin-3-ylthiophene-2-carboxamide;3-[1-(2-chlorophenyl)ethoxy]-5-[7-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]thiophene-2-carboxamide;ethyl N-[3-[5-carbamoyl-4-[1-(2-chlorophenyl)ethoxy]thiophen-2-yl]imidazo[1,2-a]pyridin-7-yl]carbamate
CID 159641245
ethyl N-[3-[5-carbamoyl-4-[(1S)-1-(2-chlorophenyl)ethoxy]thiophen-2-yl]imidazo[1,2-a]pyridin-7-yl]carbamate;ethyl N-[3-[5-carbamoyl-4-[1-(2-chlorophenyl)ethoxy]thiophen-2-yl]imidazo[1,2-a]pyridin-7-yl]-N-methylcarbamate;methyl N-[3-[5-carbamoyl-4-[(1S)-1-(2-chlorophenyl)ethoxy]thiophen-2-yl]imidazo[1,2-a]pyridin-7-yl]carbamate;methyl N-[3-[5-carbamoyl-4-[1-(2-chlorophenyl)ethoxy]thiophen-2-yl]imidazo[1,2-a]pyridin-7-yl]-N-methylcarbamate;methyl N-[3-[5-carbamoyl-4-[(1S)-1-(2-chlorophenyl)propoxy]thiophen-2-yl]imidazo[1,2-a]pyridin-7-yl]carbamate
CID 157233684
2-(4-chlorophenyl)-4-cyclopropyl-N-[3-(1H-imidazol-2-yl)propyl]quinazoline-7-carboxamide;2-(4-chlorophenyl)-4-ethyl-N-[3-(1H-imidazol-2-yl)propyl]quinazoline-7-carboxamide;2-(4-chlorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]-4-[(2-methylpropan-2-yl)oxymethyl]quinazoline-7-carboxamide;2-(5-chlorothiophen-2-yl)-4-ethoxy-N-(imidazo[1,2-a]pyridin-6-ylmethyl)quinazoline-7-carboxamide;4-ethoxy-2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]quinazoline-7-carboxamide;4-ethoxy-2-(4-fluorophenyl)-N-(3-pyridazin-4-ylpropyl)quinazoline-7-carboxamide
CID 157644064
ethyl N-[3-[5-carbamoyl-4-[(1R)-1-(2-chlorophenyl)ethoxy]thiophen-2-yl]imidazo[1,2-a]pyridin-7-yl]carbamate;ethyl N-[3-[5-carbamoyl-4-[2-(2-chlorophenyl)propan-2-yloxy]thiophen-2-yl]imidazo[1,2-a]pyridin-7-yl]carbamate;ethyl N-[3-[5-carbamoyl-4-[(1S)-1-(2-chlorophenyl)propoxy]thiophen-2-yl]imidazo[1,2-a]pyridin-7-yl]carbamate;methyl N-[3-[5-carbamoyl-4-[(1R)-1-(2-chlorophenyl)ethoxy]thiophen-2-yl]imidazo[1,2-a]pyridin-7-yl]carbamate
CID 158019735
2-chloro-N-[3-(6-methylimidazo[1,2-a]pyridin-7-yl)sulfanylphenyl]benzamide;2-chloro-N-[3-[methyl-(6-methylpyrazolo[1,5-a]pyridin-5-yl)amino]phenyl]benzamide;2-chloro-N-[3-(5-methylpyrazolo[1,5-a]pyridin-6-yl)oxyphenyl]benzamide;2-chloro-N-[3-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)oxy]phenyl]benzamide;2,6-difluoro-N-[3-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]phenyl]benzamide;2-fluoro-N-[3-[(5-methyl-1H-indazol-6-yl)oxy]phenyl]benzamide
CID 158898368
CID 159368819
CID 159368819
7-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-4-(4,4-dimethylpiperidin-1-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one;3-chloro-4-[4-(4,4-dimethylpiperidin-1-yl)pyrazolo[1,5-a]pyrazin-7-yl]sulfanylpyridin-2-amine;(3S,4S)-8-[7-(2-chloro-3-methoxyphenyl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;7-(2,3-dichlorophenyl)-4-(4,4-dimethylpiperidin-1-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one;5-(2,3-dichlorophenyl)-8-(4-ethyl-4-methylpiperidin-1-yl)-6-methylimidazo[1,2-a]pyrazine;(3S,4S)-8-[7-(2,3-dichlorophenyl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;sulfane
CID 159473359
8-[[6-(3-chloro-5-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-3-methoxy-1,5-naphthyridine;N-[[6-(3-chloro-4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;2-chloro-4-[3-[[(7-methoxy-1,5-naphthyridin-4-yl)amino]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;4-[[6-(2,2-dimethyl-3H-1-benzofuran-6-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;N-[[6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;methane;7-methoxy-N-[[6-(4-methylthiophen-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine
CID 160141821
N-[[4-[8-amino-1-(7-ethoxy-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]acetamide;[4-[8-amino-1-(1H-indazol-6-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-thiophen-3-ylmethanone;methyl 4-[4-amino-5-(7-chloro-1H-indol-2-yl)-2-methylimidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylate
CID 160304402

Frequently Asked Questions

What is the IUPAC name of 5-(6-amino-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-3-[1-(2-chlorophenyl)ethoxy]thiophene-2-carboxamide;3-[1-(2-chlorophenyl)ethoxy]-5-imidazo[1,2-a]pyridin-3-ylthiophene-2-carboxamide;3-[1-(2-chlorophenyl)ethoxy]-5-(5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)thiophene-2-carboxamide;3-[1-(2-chlorophenyl)ethoxy]-5-pyrazolo[1,5-a]pyridin-3-ylthiophene-2-carboxamide;3-[1-(2-chlorophenyl)ethoxy]-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)thiophene-2-carboxamide?
The IUPAC name of 5-(6-amino-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-3-[1-(2-chlorophenyl)ethoxy]thiophene-2-carboxamide;3-[1-(2-chlorophenyl)ethoxy]-5-imidazo[1,2-a]pyridin-3-ylthiophene-2-carboxamide;3-[1-(2-chlorophenyl)ethoxy]-5-(5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)thiophene-2-carboxamide;3-[1-(2-chlorophenyl)ethoxy]-5-pyrazolo[1,5-a]pyridin-3-ylthiophene-2-carboxamide;3-[1-(2-chlorophenyl)ethoxy]-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)thiophene-2-carboxamide (CID 161255833) is 5-(6-amino-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-3-[1-(2-chlorophenyl)ethoxy]thiophene-2-carboxamide;3-[1-(2-chlorophenyl)ethoxy]-5-imidazo[1,2-a]pyridin-3-ylthiophene-2-carboxamide;3-[1-(2-chlorophenyl)ethoxy]-5-(5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)thiophene-2-carboxamide;3-[1-(2-chlorophenyl)ethoxy]-5-pyrazolo[1,5-a]pyridin-3-ylthiophene-2-carboxamide;3-[1-(2-chlorophenyl)ethoxy]-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)thiophene-2-carboxamide.
What is the SMILES notation for 5-(6-amino-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-3-[1-(2-chlorophenyl)ethoxy]thiophene-2-carboxamide;3-[1-(2-chlorophenyl)ethoxy]-5-imidazo[1,2-a]pyridin-3-ylthiophene-2-carboxamide;3-[1-(2-chlorophenyl)ethoxy]-5-(5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)thiophene-2-carboxamide;3-[1-(2-chlorophenyl)ethoxy]-5-pyrazolo[1,5-a]pyridin-3-ylthiophene-2-carboxamide;3-[1-(2-chlorophenyl)ethoxy]-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)thiophene-2-carboxamide?
The canonical SMILES for 5-(6-amino-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-3-[1-(2-chlorophenyl)ethoxy]thiophene-2-carboxamide;3-[1-(2-chlorophenyl)ethoxy]-5-imidazo[1,2-a]pyridin-3-ylthiophene-2-carboxamide;3-[1-(2-chlorophenyl)ethoxy]-5-(5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)thiophene-2-carboxamide;3-[1-(2-chlorophenyl)ethoxy]-5-pyrazolo[1,5-a]pyridin-3-ylthiophene-2-carboxamide;3-[1-(2-chlorophenyl)ethoxy]-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)thiophene-2-carboxamide is CC(Oc1cc(-c2cnc3[nH]ccc3c2)sc1C(N)=O)c1ccccc1Cl.CC(Oc1cc(-c2cnc3ccccn23)sc1C(N)=O)c1ccccc1Cl.CC(Oc1cc(-c2cnn3ccccc23)sc1C(N)=O)c1ccccc1Cl.CC(Oc1cc(-c2nnc3ccc(N)nn23)sc1C(N)=O)c1ccccc1Cl.COc1cnc2[nH]cc(-c3cc(OC(C)c4ccccc4Cl)c(C(N)=O)s3)c2c1.
What is the InChIKey of 5-(6-amino-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-3-[1-(2-chlorophenyl)ethoxy]thiophene-2-carboxamide;3-[1-(2-chlorophenyl)ethoxy]-5-imidazo[1,2-a]pyridin-3-ylthiophene-2-carboxamide;3-[1-(2-chlorophenyl)ethoxy]-5-(5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)thiophene-2-carboxamide;3-[1-(2-chlorophenyl)ethoxy]-5-pyrazolo[1,5-a]pyridin-3-ylthiophene-2-carboxamide;3-[1-(2-chlorophenyl)ethoxy]-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)thiophene-2-carboxamide?
The InChIKey is VBXAUNIWVQIUEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN3O3S.3C20H16ClN3O2S.C18H15ClN6O2S/c1-11(13-5-3-4-6-16(13)22)28-17-8-18(29-19(17)20(23)26)15-10-25-21-14(15)7-12(27-2)9-24-21;1-12(13-6-2-3-7-15(13)21)26-17-10-18(27-19(17)20(22)25)14-11-23-24-9-5-4-8-16(14)24;1-12(13-6-2-3-7-14(13)21)26-16-10-17(27-19(16)20(22)25)15-11-23-18-8-4-5-9-24(15)18;1-11(14-4-2-3-5-15(14)21)26-16-9-17(27-18(16)19(22)25)13-8-12-6-7-23-20(12)24-10-13;1-9(10-4-2-3-5-11(10)19)27-12-8-13(28-16(12)17(21)26)18-23-22-15-7-6-14(20)24-25(15)18/h3-11H,1-2H3,(H2,23,26)(H,24,25);2*2-12H,1H3,(H2,22,25);2-11H,1H3,(H2,22,25)(H,23,24);2-9H,1H3,(H2,20,24)(H2,21,26).
What are the key properties of 5-(6-amino-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-3-[1-(2-chlorophenyl)ethoxy]thiophene-2-carboxamide;3-[1-(2-chlorophenyl)ethoxy]-5-imidazo[1,2-a]pyridin-3-ylthiophene-2-carboxamide;3-[1-(2-chlorophenyl)ethoxy]-5-(5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)thiophene-2-carboxamide;3-[1-(2-chlorophenyl)ethoxy]-5-pyrazolo[1,5-a]pyridin-3-ylthiophene-2-carboxamide;3-[1-(2-chlorophenyl)ethoxy]-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)thiophene-2-carboxamide?
5-(6-amino-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-3-[1-(2-chlorophenyl)ethoxy]thiophene-2-carboxamide;3-[1-(2-chlorophenyl)ethoxy]-5-imidazo[1,2-a]pyridin-3-ylthiophene-2-carboxamide;3-[1-(2-chlorophenyl)ethoxy]-5-(5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)thiophene-2-carboxamide;3-[1-(2-chlorophenyl)ethoxy]-5-pyrazolo[1,5-a]pyridin-3-ylthiophene-2-carboxamide;3-[1-(2-chlorophenyl)ethoxy]-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)thiophene-2-carboxamide has a molecular weight of 2036.45 g/mol, XLogP of 23.61, 26 rotatable bonds, 8 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-amino-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-3-[1-(2-chlorophenyl)ethoxy]thiophene-2-carboxamide;3-[1-(2-chlorophenyl)ethoxy]-5-imidazo[1,2-a]pyridin-3-ylthiophene-2-carboxamide;3-[1-(2-chlorophenyl)ethoxy]-5-(5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)thiophene-2-carboxamide;3-[1-(2-chlorophenyl)ethoxy]-5-pyrazolo[1,5-a]pyridin-3-ylthiophene-2-carboxamide;3-[1-(2-chlorophenyl)ethoxy]-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)thiophene-2-carboxamide is sourced from PubChem (CID 161255833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).