3-methylpyrazolo[1,5-b]pyridazine;1-propan-2-ylbenzimidazole;4-propan-2-yl-7H-cyclopenta[b]pyridine;3-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-ylimidazo[1,2-b]pyridazine;5-propan-2-ylimidazo[2,1-b][1,3]thiazole;3-propan-2-yl-2H-indazole;3-propan-2-ylpyrazolo[1,5-a]pyrazine;3-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-ylpyrazolo[1,5-a]pyrimidine;7-propan-2-ylpyrazolo[5,1-b][1,3]thiazole;3-propan-2-ylpyrazolo[1,5-c]pyrimidine;4-propan-2-ylquinoline;3-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;4-propan-2-ylthieno[2,3-b]pyridine;7-propan-2-ylthieno[3,2-b]pyridine

C152H183N33S4 — CID 158912185

IUPAC3-methylpyrazolo[1,5-b]pyridazine;1-propan-2-ylbenzimidazole;4-propan-2-yl-7H-cyclopenta[b]pyridine;3-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-ylimidazo[1,2-b]pyridazine;5-propan-2-ylimidazo[2,1-b][1,3]thiazole;3-propan-2-yl-2H-indazole;3-propan-2-ylpyrazolo[1,5-a]pyrazine;3-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-ylpyrazolo[1,5-a]pyrimidine;7-propan-2-ylpyrazolo[5,1-b][1,3]thiazole;3-propan-2-ylpyrazolo[1,5-c]pyrimidine;4-propan-2-ylquinoline;3-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;4-propan-2-ylthieno[2,3-b]pyridine;7-propan-2-ylthieno[3,2-b]pyridine
SMILESCC(C)c1[nH]nc2ccccc12.CC(C)c1ccnc2c1C=CC2.CC(C)c1ccnc2ccccc12.CC(C)c1ccnc2ccsc12.CC(C)c1ccnc2sccc12.CC(C)c1cnc2ccccn12.CC(C)c1cnc2cccnn12.CC(C)c1cnc2sccn12.CC(C)c1cnn2c1CCCC2.CC(C)c1cnn2ccccc12.CC(C)c1cnn2cccnc12.CC(C)c1cnn2ccncc12.CC(C)c1cnn2ccsc12.CC(C)c1cnn2cnccc12.CC(C)n1cnc2ccccc21.Cc1cnn2ncccc12
InChIInChI=1S/C12H13N.C11H13N.C10H12N2.C10H16N2.3C10H12N2.2C10H11NS.4C9H11N3.2C8H10N2S.C7H7N3/c1-9(2)10-7-8-13-12-6-4-3-5-11(10)12;1-8(2)9-6-7-12-11-5-3-4-10(9)11;1-8(2)9-7-11-10-5-3-4-6-12(9)10;2*1-8(2)9-7-11-12-6-4-3-5-10(9)12;1-8(2)12-7-11-9-5-3-4-6-10(9)12;1-7(2)10-8-5-3-4-6-9(8)11-12-10;1-7(2)8-3-5-11-9-4-6-12-10(8)9;1-7(2)8-3-5-11-10-9(8)4-6-12-10;1-7(2)8-5-11-12-4-3-10-6-9(8)12;1-7(2)8-5-11-12-6-10-4-3-9(8)12;1-7(2)8-6-11-12-5-3-4-10-9(8)12;1-7(2)8-6-10-9-4-3-5-11-12(8)9;1-6(2)7-5-9-8-10(7)3-4-11-8;1-6(2)7-5-9-10-3-4-11-8(7)10;1-6-5-9-10-7(6)3-2-4-8-10/h3-9H,1-2H3;3-4,6-8H,5H2,1-2H3;3-8H,1-2H3;7-8H,3-6H2,1-2H3;2*3-8H,1-2H3;3-7H,1-2H3,(H,11,12);6*3-7H,1-2H3;2*3-6H,1-2H3;2-5H,1H3
InChIKeyJGUDEWRAKZURBQ-UHFFFAOYSA-N
MW2600.63 g/mol
LogP39.02
Rot. Bonds15

About 3-methylpyrazolo[1,5-b]pyridazine;1-propan-2-ylbenzimidazole;4-propan-2-yl-7H-cyclopenta[b]pyridine;3-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-ylimidazo[1,2-b]pyridazine;5-propan-2-ylimidazo[2,1-b][1,3]thiazole;3-propan-2-yl-2H-indazole;3-propan-2-ylpyrazolo[1,5-a]pyrazine;3-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-ylpyrazolo[1,5-a]pyrimidine;7-propan-2-ylpyrazolo[5,1-b][1,3]thiazole;3-propan-2-ylpyrazolo[1,5-c]pyrimidine;4-propan-2-ylquinoline;3-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;4-propan-2-ylthieno[2,3-b]pyridine;7-propan-2-ylthieno[3,2-b]pyridine

3-methylpyrazolo[1,5-b]pyridazine;1-propan-2-ylbenzimidazole;4-propan-2-yl-7H-cyclopenta[b]pyridine;3-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-ylimidazo[1,2-b]pyridazine;5-propan-2-ylimidazo[2,1-b][1,3]thiazole;3-propan-2-yl-2H-indazole;3-propan-2-ylpyrazolo[1,5-a]pyrazine;3-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-ylpyrazolo[1,5-a]pyrimidine;7-propan-2-ylpyrazolo[5,1-b][1,3]thiazole;3-propan-2-ylpyrazolo[1,5-c]pyrimidine;4-propan-2-ylquinoline;3-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;4-propan-2-ylthieno[2,3-b]pyridine;7-propan-2-ylthieno[3,2-b]pyridine (PubChem CID 158912185) has the molecular formula C152H183N33S4 and a molecular weight of 2600.63 g/mol. Its IUPAC name is 3-methylpyrazolo[1,5-b]pyridazine;1-propan-2-ylbenzimidazole;4-propan-2-yl-7H-cyclopenta[b]pyridine;3-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-ylimidazo[1,2-b]pyridazine;5-propan-2-ylimidazo[2,1-b][1,3]thiazole;3-propan-2-yl-2H-indazole;3-propan-2-ylpyrazolo[1,5-a]pyrazine;3-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-ylpyrazolo[1,5-a]pyrimidine;7-propan-2-ylpyrazolo[5,1-b][1,3]thiazole;3-propan-2-ylpyrazolo[1,5-c]pyrimidine;4-propan-2-ylquinoline;3-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;4-propan-2-ylthieno[2,3-b]pyridine;7-propan-2-ylthieno[3,2-b]pyridine.

Molecular Properties

Compound Name3-methylpyrazolo[1,5-b]pyridazine;1-propan-2-ylbenzimidazole;4-propan-2-yl-7H-cyclopenta[b]pyridine;3-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-ylimidazo[1,2-b]pyridazine;5-propan-2-ylimidazo[2,1-b][1,3]thiazole;3-propan-2-yl-2H-indazole;3-propan-2-ylpyrazolo[1,5-a]pyrazine;3-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-ylpyrazolo[1,5-a]pyrimidine;7-propan-2-ylpyrazolo[5,1-b][1,3]thiazole;3-propan-2-ylpyrazolo[1,5-c]pyrimidine;4-propan-2-ylquinoline;3-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;4-propan-2-ylthieno[2,3-b]pyridine;7-propan-2-ylthieno[3,2-b]pyridine
PubChem CID158912185
Molecular FormulaC152H183N33S4
Molecular Weight2600.63 g/mol
Exact Mass2598.42
IUPAC Name3-methylpyrazolo[1,5-b]pyridazine;1-propan-2-ylbenzimidazole;4-propan-2-yl-7H-cyclopenta[b]pyridine;3-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-ylimidazo[1,2-b]pyridazine;5-propan-2-ylimidazo[2,1-b][1,3]thiazole;3-propan-2-yl-2H-indazole;3-propan-2-ylpyrazolo[1,5-a]pyrazine;3-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-ylpyrazolo[1,5-a]pyrimidine;7-propan-2-ylpyrazolo[5,1-b][1,3]thiazole;3-propan-2-ylpyrazolo[1,5-c]pyrimidine;4-propan-2-ylquinoline;3-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;4-propan-2-ylthieno[2,3-b]pyridine;7-propan-2-ylthieno[3,2-b]pyridine
SMILESCC(C)c1[nH]nc2ccccc12.CC(C)c1ccnc2c1C=CC2.CC(C)c1ccnc2ccccc12.CC(C)c1ccnc2ccsc12.CC(C)c1ccnc2sccc12.CC(C)c1cnc2ccccn12.CC(C)c1cnc2cccnn12.CC(C)c1cnc2sccn12.CC(C)c1cnn2c1CCCC2.CC(C)c1cnn2ccccc12.CC(C)c1cnn2cccnc12.CC(C)c1cnn2ccncc12.CC(C)c1cnn2ccsc12.CC(C)c1cnn2cnccc12.CC(C)n1cnc2ccccc21.Cc1cnn2ncccc12
InChIInChI=1S/C12H13N.C11H13N.C10H12N2.C10H16N2.3C10H12N2.2C10H11NS.4C9H11N3.2C8H10N2S.C7H7N3/c1-9(2)10-7-8-13-12-6-4-3-5-11(10)12;1-8(2)9-6-7-12-11-5-3-4-10(9)11;1-8(2)9-7-11-10-5-3-4-6-12(9)10;2*1-8(2)9-7-11-12-6-4-3-5-10(9)12;1-8(2)12-7-11-9-5-3-4-6-10(9)12;1-7(2)10-8-5-3-4-6-9(8)11-12-10;1-7(2)8-3-5-11-9-4-6-12-10(8)9;1-7(2)8-3-5-11-10-9(8)4-6-12-10;1-7(2)8-5-11-12-4-3-10-6-9(8)12;1-7(2)8-5-11-12-6-10-4-3-9(8)12;1-7(2)8-6-11-12-5-3-4-10-9(8)12;1-7(2)8-6-10-9-4-3-5-11-12(8)9;1-6(2)7-5-9-8-10(7)3-4-11-8;1-6(2)7-5-9-10-3-4-11-8(7)10;1-6-5-9-10-7(6)3-2-4-8-10/h3-9H,1-2H3;3-4,6-8H,5H2,1-2H3;3-8H,1-2H3;7-8H,3-6H2,1-2H3;2*3-8H,1-2H3;3-7H,1-2H3,(H,11,12);6*3-7H,1-2H3;2*3-6H,1-2H3;2-5H,1H3
InChIKeyJGUDEWRAKZURBQ-UHFFFAOYSA-N
XLogP39.02
TPSA336.03 Ų
H-Bond Donors1
H-Bond Acceptors36
Rotatable Bonds15
Heavy Atoms189
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002600.63
LogP ≤ 539.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1036

Analyze 3-methylpyrazolo[1,5-b]pyridazine;1-propan-2-ylbenzimidazole;4-propan-2-yl-7H-cyclopenta[b]pyridine;3-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-ylimidazo[1,2-b]pyridazine;5-propan-2-ylimidazo[2,1-b][1,3]thiazole;3-propan-2-yl-2H-indazole;3-propan-2-ylpyrazolo[1,5-a]pyrazine;3-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-ylpyrazolo[1,5-a]pyrimidine;7-propan-2-ylpyrazolo[5,1-b][1,3]thiazole;3-propan-2-ylpyrazolo[1,5-c]pyrimidine;4-propan-2-ylquinoline;3-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;4-propan-2-ylthieno[2,3-b]pyridine;7-propan-2-ylthieno[3,2-b]pyridine with MolForge

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Related Compounds

2-[4-[2-[[3-[7-[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]-4-ethyl-1-methyl-4H-[1,2,4]triazolo[4,3-f]pteridin-5-yl]pyrazol-1-yl]methyl]-4-ethyl-5-(1-methylpyrazol-3-yl)-4H-[1,2,4]triazolo[4,3-f]pteridin-10-ium-7-yl]-1-methylpyrazol-3-yl]-1,3-thiazole
CID 123481644
3-[4-(5-fluorothiophen-2-yl)-1H-benzimidazol-2-yl]-5-[5-[[3-[7-(5-fluorothiophen-2-yl)-2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazol-4-yl]piperidin-1-yl]methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine
CID 137024832
5-[7-[2-[2-[5-[5-(dimethylamino)-3-pyridinyl]-1H-pyrazolo[5,4-b]pyridin-3-yl]-1H-benzimidazol-4-yl]-5-fluorothiophen-3-yl]-3-[4-(5-fluorothiophen-2-yl)-1H-benzimidazol-2-yl]-1H-pyrazolo[5,4-b]pyridin-7-ium-5-yl]pyridin-3-amine
CID 137108100
5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-3-[4-(5-fluorothiophen-2-yl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridine;3-[4-(5-methylthiophen-2-yl)-1H-benzimidazol-2-yl]-5-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridine
CID 145664888
6-(4-cyclopropylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]sulfanylpyrimidin-4-amine;2-(8-fluoro-2-methylquinolin-6-yl)sulfanyl-6-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine;6-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)-2-[3-methyl-2-(trifluoromethyl)benzimidazol-5-yl]sulfanylpyrimidin-4-amine;molecular hydrogen
CID 157121403
2,3-Diphenylindazole;1-fluoro-2-phenylimidazo[1,2-a]quinoline;2-[2-fluoro-4-(trifluoromethyl)phenyl]pyridine;2-phenyl-1,3-benzothiazole;2-phenylimidazo[1,2-a]pyridine;1-phenylindazole;2-phenylindazole;1-phenylisoquinoline;3-phenylisoquinoline;2-phenylpyrazolo[1,5-a]pyridine;2-phenylpyridine;2-phenyl-3-(trifluoromethyl)imidazo[1,2-a]pyridine;2-thiophen-2-ylpyridine
CID 158435881
tris(3-(3H-dibenzothiophen-3-id-2-yl)pyrido[2,3-b]pyrazine);tris(iridium);1-methyl-2-(5-methylpyrazol-2-id-3-yl)pyridin-1-ium;1-methyl-2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridin-1-ium;1-methyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridin-1-ium
CID 158864873
2-(3-tert-butylpyrazol-1-id-5-yl)-1-methylpyridin-1-ium;tris(6-(3H-dibenzothiophen-3-id-2-yl)pyrido[2,3-b]pyrazine);tris(iridium);1-methyl-2-(5-methylpyrazol-2-id-3-yl)pyridin-1-ium;1-methyl-2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridin-1-ium
CID 159232217
5-tert-butyl-1-methyl-3-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]indazole;3-(4,4-dimethylpiperazin-4-ium-1-yl)-1-methyl-5-propan-2-ylindazole;1,3-dimethyl-5-propan-2-ylpyrazolo[4,3-d]pyrimidine;1,3-dimethyl-5-(4-propan-2-yl-2-pyridinyl)pyrazolo[4,3-d]pyrimidine;1-methyl-5-[(2S)-1-methyl-4-propan-2-ylpiperazin-2-yl]indazole;1-methyl-5-[(2R)-1-methyl-4-propan-2-ylpiperazin-2-yl]indazole;1-methyl-5-(2-methyl-5-propan-2-yl-3-pyridinyl)pyrazolo[4,5-b]pyridine;2-propan-2-yl-5-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole;6-(4-propan-2-ylpyrimidin-2-yl)quinolin-2-amine
CID 159439054
2-[2-(4,7-dimethylpyrazolo[1,5-a]pyrazin-2-yl)ethyl]-3-methylbenzo[e]benzimidazole;2-[2-(4,7-dimethylpyrazolo[1,5-a]pyrazin-2-yl)ethyl]-3-methylimidazo[4,5-h]quinoline;4-[2-(4,7-dimethylpyrazolo[1,5-a]pyrazin-2-yl)ethyl]-5-methyl-7-thia-3,5,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),3,9,11-pentaene;2-[2-(4,7-dimethylpyrazolo[1,5-a]pyrazin-2-yl)ethyl]-3H-pyrrolo[3,2-h]quinoline;2-[2-(4,7-dimethylpyrazolo[1,5-a]pyrazin-2-yl)ethyl]-[1,2,4]triazolo[5,1-a]isoquinoline;3-methyl-2-[2-[7-methyl-4-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]ethyl]benzo[e]benzimidazole
CID 159820862
5-tert-butyl-1-methyl-3-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]indazole;3-(4,4-dimethylpiperazin-4-ium-1-yl)-1-methyl-5-propan-2-ylindazole;1,3-dimethyl-5-propan-2-ylpyrazolo[4,3-d]pyrimidine;1,3-dimethyl-5-(4-propan-2-yl-2-pyridinyl)pyrazolo[4,3-d]pyrimidine;1-methyl-3-(4-methylpiperazin-1-yl)-5-propan-2-ylpyrazolo[4,3-b]pyridine;1-methyl-5-[(2S)-1-methyl-4-propan-2-ylpiperazin-2-yl]indazole;1-methyl-5-[(2R)-1-methyl-4-propan-2-ylpiperazin-2-yl]indazole;1-methyl-5-(2-methyl-5-propan-2-yl-3-pyridinyl)pyrazolo[4,5-b]pyridine;1-methyl-5-propan-2-yl-3-pyridin-3-ylpyrazolo[4,3-b]pyridine;1-methyl-5-propan-2-yl-3-pyrimidin-5-ylindazole;2-propan-2-yl-5-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole;6-(4-propan-2-ylpyrimidin-2-yl)quinolin-2-amine
CID 160060630
6-tert-butyl-2,3-dihydroimidazo[2,1-b][1,3]thiazole;2-tert-butylimidazo[1,2-a]pyridine;6-tert-butylimidazo[2,1-b][1,3,4]thiadiazole;6-tert-butylimidazo[2,1-b][1,3]thiazole;6-tert-butylimidazo[1,2-d]thiatriazole;4-tert-butyl-5-methyl-1H-pyrazole;4-tert-butyl-2-methylpyrimidine;7-tert-butylpyrazolo[1,5-a]pyrimidine;4-tert-butylpyrimidin-2-amine;7-tert-butyl-[1,2,4]triazolo[1,5-a]pyrimidine;7-tert-butyl-2-(trifluoromethyl)imidazo[1,2-a]pyrimidine
CID 160547492

Frequently Asked Questions

What is the IUPAC name of 3-methylpyrazolo[1,5-b]pyridazine;1-propan-2-ylbenzimidazole;4-propan-2-yl-7H-cyclopenta[b]pyridine;3-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-ylimidazo[1,2-b]pyridazine;5-propan-2-ylimidazo[2,1-b][1,3]thiazole;3-propan-2-yl-2H-indazole;3-propan-2-ylpyrazolo[1,5-a]pyrazine;3-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-ylpyrazolo[1,5-a]pyrimidine;7-propan-2-ylpyrazolo[5,1-b][1,3]thiazole;3-propan-2-ylpyrazolo[1,5-c]pyrimidine;4-propan-2-ylquinoline;3-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;4-propan-2-ylthieno[2,3-b]pyridine;7-propan-2-ylthieno[3,2-b]pyridine?
The IUPAC name of 3-methylpyrazolo[1,5-b]pyridazine;1-propan-2-ylbenzimidazole;4-propan-2-yl-7H-cyclopenta[b]pyridine;3-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-ylimidazo[1,2-b]pyridazine;5-propan-2-ylimidazo[2,1-b][1,3]thiazole;3-propan-2-yl-2H-indazole;3-propan-2-ylpyrazolo[1,5-a]pyrazine;3-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-ylpyrazolo[1,5-a]pyrimidine;7-propan-2-ylpyrazolo[5,1-b][1,3]thiazole;3-propan-2-ylpyrazolo[1,5-c]pyrimidine;4-propan-2-ylquinoline;3-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;4-propan-2-ylthieno[2,3-b]pyridine;7-propan-2-ylthieno[3,2-b]pyridine (CID 158912185) is 3-methylpyrazolo[1,5-b]pyridazine;1-propan-2-ylbenzimidazole;4-propan-2-yl-7H-cyclopenta[b]pyridine;3-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-ylimidazo[1,2-b]pyridazine;5-propan-2-ylimidazo[2,1-b][1,3]thiazole;3-propan-2-yl-2H-indazole;3-propan-2-ylpyrazolo[1,5-a]pyrazine;3-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-ylpyrazolo[1,5-a]pyrimidine;7-propan-2-ylpyrazolo[5,1-b][1,3]thiazole;3-propan-2-ylpyrazolo[1,5-c]pyrimidine;4-propan-2-ylquinoline;3-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;4-propan-2-ylthieno[2,3-b]pyridine;7-propan-2-ylthieno[3,2-b]pyridine.
What is the SMILES notation for 3-methylpyrazolo[1,5-b]pyridazine;1-propan-2-ylbenzimidazole;4-propan-2-yl-7H-cyclopenta[b]pyridine;3-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-ylimidazo[1,2-b]pyridazine;5-propan-2-ylimidazo[2,1-b][1,3]thiazole;3-propan-2-yl-2H-indazole;3-propan-2-ylpyrazolo[1,5-a]pyrazine;3-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-ylpyrazolo[1,5-a]pyrimidine;7-propan-2-ylpyrazolo[5,1-b][1,3]thiazole;3-propan-2-ylpyrazolo[1,5-c]pyrimidine;4-propan-2-ylquinoline;3-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;4-propan-2-ylthieno[2,3-b]pyridine;7-propan-2-ylthieno[3,2-b]pyridine?
The canonical SMILES for 3-methylpyrazolo[1,5-b]pyridazine;1-propan-2-ylbenzimidazole;4-propan-2-yl-7H-cyclopenta[b]pyridine;3-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-ylimidazo[1,2-b]pyridazine;5-propan-2-ylimidazo[2,1-b][1,3]thiazole;3-propan-2-yl-2H-indazole;3-propan-2-ylpyrazolo[1,5-a]pyrazine;3-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-ylpyrazolo[1,5-a]pyrimidine;7-propan-2-ylpyrazolo[5,1-b][1,3]thiazole;3-propan-2-ylpyrazolo[1,5-c]pyrimidine;4-propan-2-ylquinoline;3-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;4-propan-2-ylthieno[2,3-b]pyridine;7-propan-2-ylthieno[3,2-b]pyridine is CC(C)c1[nH]nc2ccccc12.CC(C)c1ccnc2c1C=CC2.CC(C)c1ccnc2ccccc12.CC(C)c1ccnc2ccsc12.CC(C)c1ccnc2sccc12.CC(C)c1cnc2ccccn12.CC(C)c1cnc2cccnn12.CC(C)c1cnc2sccn12.CC(C)c1cnn2c1CCCC2.CC(C)c1cnn2ccccc12.CC(C)c1cnn2cccnc12.CC(C)c1cnn2ccncc12.CC(C)c1cnn2ccsc12.CC(C)c1cnn2cnccc12.CC(C)n1cnc2ccccc21.Cc1cnn2ncccc12.
What is the InChIKey of 3-methylpyrazolo[1,5-b]pyridazine;1-propan-2-ylbenzimidazole;4-propan-2-yl-7H-cyclopenta[b]pyridine;3-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-ylimidazo[1,2-b]pyridazine;5-propan-2-ylimidazo[2,1-b][1,3]thiazole;3-propan-2-yl-2H-indazole;3-propan-2-ylpyrazolo[1,5-a]pyrazine;3-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-ylpyrazolo[1,5-a]pyrimidine;7-propan-2-ylpyrazolo[5,1-b][1,3]thiazole;3-propan-2-ylpyrazolo[1,5-c]pyrimidine;4-propan-2-ylquinoline;3-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;4-propan-2-ylthieno[2,3-b]pyridine;7-propan-2-ylthieno[3,2-b]pyridine?
The InChIKey is JGUDEWRAKZURBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N.C11H13N.C10H12N2.C10H16N2.3C10H12N2.2C10H11NS.4C9H11N3.2C8H10N2S.C7H7N3/c1-9(2)10-7-8-13-12-6-4-3-5-11(10)12;1-8(2)9-6-7-12-11-5-3-4-10(9)11;1-8(2)9-7-11-10-5-3-4-6-12(9)10;2*1-8(2)9-7-11-12-6-4-3-5-10(9)12;1-8(2)12-7-11-9-5-3-4-6-10(9)12;1-7(2)10-8-5-3-4-6-9(8)11-12-10;1-7(2)8-3-5-11-9-4-6-12-10(8)9;1-7(2)8-3-5-11-10-9(8)4-6-12-10;1-7(2)8-5-11-12-4-3-10-6-9(8)12;1-7(2)8-5-11-12-6-10-4-3-9(8)12;1-7(2)8-6-11-12-5-3-4-10-9(8)12;1-7(2)8-6-10-9-4-3-5-11-12(8)9;1-6(2)7-5-9-8-10(7)3-4-11-8;1-6(2)7-5-9-10-3-4-11-8(7)10;1-6-5-9-10-7(6)3-2-4-8-10/h3-9H,1-2H3;3-4,6-8H,5H2,1-2H3;3-8H,1-2H3;7-8H,3-6H2,1-2H3;2*3-8H,1-2H3;3-7H,1-2H3,(H,11,12);6*3-7H,1-2H3;2*3-6H,1-2H3;2-5H,1H3.
What are the key properties of 3-methylpyrazolo[1,5-b]pyridazine;1-propan-2-ylbenzimidazole;4-propan-2-yl-7H-cyclopenta[b]pyridine;3-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-ylimidazo[1,2-b]pyridazine;5-propan-2-ylimidazo[2,1-b][1,3]thiazole;3-propan-2-yl-2H-indazole;3-propan-2-ylpyrazolo[1,5-a]pyrazine;3-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-ylpyrazolo[1,5-a]pyrimidine;7-propan-2-ylpyrazolo[5,1-b][1,3]thiazole;3-propan-2-ylpyrazolo[1,5-c]pyrimidine;4-propan-2-ylquinoline;3-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;4-propan-2-ylthieno[2,3-b]pyridine;7-propan-2-ylthieno[3,2-b]pyridine?
3-methylpyrazolo[1,5-b]pyridazine;1-propan-2-ylbenzimidazole;4-propan-2-yl-7H-cyclopenta[b]pyridine;3-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-ylimidazo[1,2-b]pyridazine;5-propan-2-ylimidazo[2,1-b][1,3]thiazole;3-propan-2-yl-2H-indazole;3-propan-2-ylpyrazolo[1,5-a]pyrazine;3-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-ylpyrazolo[1,5-a]pyrimidine;7-propan-2-ylpyrazolo[5,1-b][1,3]thiazole;3-propan-2-ylpyrazolo[1,5-c]pyrimidine;4-propan-2-ylquinoline;3-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;4-propan-2-ylthieno[2,3-b]pyridine;7-propan-2-ylthieno[3,2-b]pyridine has a molecular weight of 2600.63 g/mol, XLogP of 39.02, 15 rotatable bonds, 1 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylpyrazolo[1,5-b]pyridazine;1-propan-2-ylbenzimidazole;4-propan-2-yl-7H-cyclopenta[b]pyridine;3-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-ylimidazo[1,2-b]pyridazine;5-propan-2-ylimidazo[2,1-b][1,3]thiazole;3-propan-2-yl-2H-indazole;3-propan-2-ylpyrazolo[1,5-a]pyrazine;3-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-ylpyrazolo[1,5-a]pyrimidine;7-propan-2-ylpyrazolo[5,1-b][1,3]thiazole;3-propan-2-ylpyrazolo[1,5-c]pyrimidine;4-propan-2-ylquinoline;3-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;4-propan-2-ylthieno[2,3-b]pyridine;7-propan-2-ylthieno[3,2-b]pyridine is sourced from PubChem (CID 158912185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).