ethane;4-propan-2-yl-1H-benzimidazole;3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine;4-propan-2-yl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;3-propan-2-ylimidazo[1,5-a]pyrazine;3-propan-2-yl-7H-imidazo[1,2-a]pyrazin-8-one;5-propan-2-ylimidazo[1,2-a]pyridine;8-propan-2-ylimidazo[1,2-a]pyridine;8-propan-2-ylimidazo[1,5-a]pyridine;4-propan-2-yl-1H-indole;3-propan-2-ylpyrazolo[1,5-a]pyrazine;3-propan-2-ylpyrazolo[1,5-a]pyrimidine;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;7-propan-2-yl-1H-pyrrolo[3,2-b]pyridine;5-propan-2-yl-7H-pyrrolo[2,3-c]pyridazine;3-propan-2-yl-1H-pyrrolo[2,3-d]pyridazine;3-propan-2-yl-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine;3-propan-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepine;2-propan-2-yl-4,5,6,8-tetrahydropyrazolo[1,5-d][1,4]diazepin-7-one

C212H338N42O3 — CID 157494923

IUPACethane;4-propan-2-yl-1H-benzimidazole;3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine;4-propan-2-yl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;3-propan-2-ylimidazo[1,5-a]pyrazine;3-propan-2-yl-7H-imidazo[1,2-a]pyrazin-8-one;5-propan-2-ylimidazo[1,2-a]pyridine;8-propan-2-ylimidazo[1,2-a]pyridine;8-propan-2-ylimidazo[1,5-a]pyridine;4-propan-2-yl-1H-indole;3-propan-2-ylpyrazolo[1,5-a]pyrazine;3-propan-2-ylpyrazolo[1,5-a]pyrimidine;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;7-propan-2-yl-1H-pyrrolo[3,2-b]pyridine;5-propan-2-yl-7H-pyrrolo[2,3-c]pyridazine;3-propan-2-yl-1H-pyrrolo[2,3-d]pyridazine;3-propan-2-yl-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine;3-propan-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepine;2-propan-2-yl-4,5,6,8-tetrahydropyrazolo[1,5-d][1,4]diazepin-7-one
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)c1c[nH]c2cnncc12.CC(C)c1c[nH]c2nnccc12.CC(C)c1cc2n(n1)CC(=O)NCC2.CC(C)c1cccc2[nH]ccc12.CC(C)c1cccc2[nH]cnc12.CC(C)c1cccc2nccn12.CC(C)c1cccn2ccnc12.CC(C)c1cccn2cncc12.CC(C)c1ccnc2[nH]ccc12.CC(C)c1ccnc2c1CCN2.CC(C)c1ccnc2cc[nH]c12.CC(C)c1cnc2c(=O)[nH]ccn12.CC(C)c1cnc2n1CCCCC2.CC(C)c1cnn2c1CCCCC2.CC(C)c1cnn2c1OCCC2.CC(C)c1cnn2cccnc12.CC(C)c1cnn2ccncc12.CC(C)c1ncc2cnccn12
InChIInChI=1S/2C11H18N2.C11H13N.C10H15N3O.C10H12N2.C10H14N2.5C10H12N2.C9H11N3O.5C9H11N3.C9H14N2O.18C2H6/c1-9(2)10-8-12-11-6-4-3-5-7-13(10)11;1-9(2)10-8-12-13-7-5-3-4-6-11(10)13;1-8(2)9-4-3-5-11-10(9)6-7-12-11;1-7(2)9-5-8-3-4-11-10(14)6-13(8)12-9;1-7(2)8-3-5-11-9-4-6-12-10(8)9;2*1-7(2)8-3-5-11-10-9(8)4-6-12-10;1-8(2)9-4-3-6-12-7-5-11-10(9)12;1-8(2)9-4-3-5-12-7-11-6-10(9)12;1-8(2)9-4-3-5-10-11-6-7-12(9)10;1-7(2)8-4-3-5-9-10(8)12-6-11-9;1-6(2)7-5-11-8-9(13)10-3-4-12(7)8;1-6(2)7-3-10-9-5-12-11-4-8(7)9;1-7(2)8-5-11-12-4-3-10-6-9(8)12;1-7(2)9-11-6-8-5-10-3-4-12(8)9;1-6(2)8-5-10-9-7(8)3-4-11-12-9;1-7(2)8-6-11-12-5-3-4-10-9(8)12;1-7(2)8-6-10-11-4-3-5-12-9(8)11;18*1-2/h2*8-9H,3-7H2,1-2H3;3-8,12H,1-2H3;5,7H,3-4,6H2,1-2H3,(H,11,14);3-7,12H,1-2H3;3,5,7H,4,6H2,1-2H3,(H,11,12);3-7H,1-2H3,(H,11,12);3*3-8H,1-2H3;3-7H,1-2H3,(H,11,12);3-6H,1-2H3,(H,10,13);3-6,10H,1-2H3;2*3-7H,1-2H3;3-6H,1-2H3,(H,10,12);3-7H,1-2H3;6-7H,3-5H2,1-2H3;18*1-2H3
InChIKeyMGXAYEWTMRIQIS-UHFFFAOYSA-N
MW3523.33 g/mol
LogP58.17
Rot. Bonds18

About ethane;4-propan-2-yl-1H-benzimidazole;3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine;4-propan-2-yl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;3-propan-2-ylimidazo[1,5-a]pyrazine;3-propan-2-yl-7H-imidazo[1,2-a]pyrazin-8-one;5-propan-2-ylimidazo[1,2-a]pyridine;8-propan-2-ylimidazo[1,2-a]pyridine;8-propan-2-ylimidazo[1,5-a]pyridine;4-propan-2-yl-1H-indole;3-propan-2-ylpyrazolo[1,5-a]pyrazine;3-propan-2-ylpyrazolo[1,5-a]pyrimidine;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;7-propan-2-yl-1H-pyrrolo[3,2-b]pyridine;5-propan-2-yl-7H-pyrrolo[2,3-c]pyridazine;3-propan-2-yl-1H-pyrrolo[2,3-d]pyridazine;3-propan-2-yl-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine;3-propan-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepine;2-propan-2-yl-4,5,6,8-tetrahydropyrazolo[1,5-d][1,4]diazepin-7-one

ethane;4-propan-2-yl-1H-benzimidazole;3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine;4-propan-2-yl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;3-propan-2-ylimidazo[1,5-a]pyrazine;3-propan-2-yl-7H-imidazo[1,2-a]pyrazin-8-one;5-propan-2-ylimidazo[1,2-a]pyridine;8-propan-2-ylimidazo[1,2-a]pyridine;8-propan-2-ylimidazo[1,5-a]pyridine;4-propan-2-yl-1H-indole;3-propan-2-ylpyrazolo[1,5-a]pyrazine;3-propan-2-ylpyrazolo[1,5-a]pyrimidine;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;7-propan-2-yl-1H-pyrrolo[3,2-b]pyridine;5-propan-2-yl-7H-pyrrolo[2,3-c]pyridazine;3-propan-2-yl-1H-pyrrolo[2,3-d]pyridazine;3-propan-2-yl-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine;3-propan-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepine;2-propan-2-yl-4,5,6,8-tetrahydropyrazolo[1,5-d][1,4]diazepin-7-one (PubChem CID 157494923) has the molecular formula C212H338N42O3 and a molecular weight of 3523.33 g/mol. Its IUPAC name is ethane;4-propan-2-yl-1H-benzimidazole;3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine;4-propan-2-yl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;3-propan-2-ylimidazo[1,5-a]pyrazine;3-propan-2-yl-7H-imidazo[1,2-a]pyrazin-8-one;5-propan-2-ylimidazo[1,2-a]pyridine;8-propan-2-ylimidazo[1,2-a]pyridine;8-propan-2-ylimidazo[1,5-a]pyridine;4-propan-2-yl-1H-indole;3-propan-2-ylpyrazolo[1,5-a]pyrazine;3-propan-2-ylpyrazolo[1,5-a]pyrimidine;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;7-propan-2-yl-1H-pyrrolo[3,2-b]pyridine;5-propan-2-yl-7H-pyrrolo[2,3-c]pyridazine;3-propan-2-yl-1H-pyrrolo[2,3-d]pyridazine;3-propan-2-yl-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine;3-propan-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepine;2-propan-2-yl-4,5,6,8-tetrahydropyrazolo[1,5-d][1,4]diazepin-7-one.

Molecular Properties

Compound Nameethane;4-propan-2-yl-1H-benzimidazole;3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine;4-propan-2-yl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;3-propan-2-ylimidazo[1,5-a]pyrazine;3-propan-2-yl-7H-imidazo[1,2-a]pyrazin-8-one;5-propan-2-ylimidazo[1,2-a]pyridine;8-propan-2-ylimidazo[1,2-a]pyridine;8-propan-2-ylimidazo[1,5-a]pyridine;4-propan-2-yl-1H-indole;3-propan-2-ylpyrazolo[1,5-a]pyrazine;3-propan-2-ylpyrazolo[1,5-a]pyrimidine;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;7-propan-2-yl-1H-pyrrolo[3,2-b]pyridine;5-propan-2-yl-7H-pyrrolo[2,3-c]pyridazine;3-propan-2-yl-1H-pyrrolo[2,3-d]pyridazine;3-propan-2-yl-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine;3-propan-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepine;2-propan-2-yl-4,5,6,8-tetrahydropyrazolo[1,5-d][1,4]diazepin-7-one
PubChem CID157494923
Molecular FormulaC212H338N42O3
Molecular Weight3523.33 g/mol
Exact Mass3520.76
IUPAC Nameethane;4-propan-2-yl-1H-benzimidazole;3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine;4-propan-2-yl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;3-propan-2-ylimidazo[1,5-a]pyrazine;3-propan-2-yl-7H-imidazo[1,2-a]pyrazin-8-one;5-propan-2-ylimidazo[1,2-a]pyridine;8-propan-2-ylimidazo[1,2-a]pyridine;8-propan-2-ylimidazo[1,5-a]pyridine;4-propan-2-yl-1H-indole;3-propan-2-ylpyrazolo[1,5-a]pyrazine;3-propan-2-ylpyrazolo[1,5-a]pyrimidine;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;7-propan-2-yl-1H-pyrrolo[3,2-b]pyridine;5-propan-2-yl-7H-pyrrolo[2,3-c]pyridazine;3-propan-2-yl-1H-pyrrolo[2,3-d]pyridazine;3-propan-2-yl-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine;3-propan-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepine;2-propan-2-yl-4,5,6,8-tetrahydropyrazolo[1,5-d][1,4]diazepin-7-one
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)c1c[nH]c2cnncc12.CC(C)c1c[nH]c2nnccc12.CC(C)c1cc2n(n1)CC(=O)NCC2.CC(C)c1cccc2[nH]ccc12.CC(C)c1cccc2[nH]cnc12.CC(C)c1cccc2nccn12.CC(C)c1cccn2ccnc12.CC(C)c1cccn2cncc12.CC(C)c1ccnc2[nH]ccc12.CC(C)c1ccnc2c1CCN2.CC(C)c1ccnc2cc[nH]c12.CC(C)c1cnc2c(=O)[nH]ccn12.CC(C)c1cnc2n1CCCCC2.CC(C)c1cnn2c1CCCCC2.CC(C)c1cnn2c1OCCC2.CC(C)c1cnn2cccnc12.CC(C)c1cnn2ccncc12.CC(C)c1ncc2cnccn12
InChIInChI=1S/2C11H18N2.C11H13N.C10H15N3O.C10H12N2.C10H14N2.5C10H12N2.C9H11N3O.5C9H11N3.C9H14N2O.18C2H6/c1-9(2)10-8-12-11-6-4-3-5-7-13(10)11;1-9(2)10-8-12-13-7-5-3-4-6-11(10)13;1-8(2)9-4-3-5-11-10(9)6-7-12-11;1-7(2)9-5-8-3-4-11-10(14)6-13(8)12-9;1-7(2)8-3-5-11-9-4-6-12-10(8)9;2*1-7(2)8-3-5-11-10-9(8)4-6-12-10;1-8(2)9-4-3-6-12-7-5-11-10(9)12;1-8(2)9-4-3-5-12-7-11-6-10(9)12;1-8(2)9-4-3-5-10-11-6-7-12(9)10;1-7(2)8-4-3-5-9-10(8)12-6-11-9;1-6(2)7-5-11-8-9(13)10-3-4-12(7)8;1-6(2)7-3-10-9-5-12-11-4-8(7)9;1-7(2)8-5-11-12-4-3-10-6-9(8)12;1-7(2)9-11-6-8-5-10-3-4-12(8)9;1-6(2)8-5-10-9-7(8)3-4-11-12-9;1-7(2)8-6-11-12-5-3-4-10-9(8)12;1-7(2)8-6-10-11-4-3-5-12-9(8)11;18*1-2/h2*8-9H,3-7H2,1-2H3;3-8,12H,1-2H3;5,7H,3-4,6H2,1-2H3,(H,11,14);3-7,12H,1-2H3;3,5,7H,4,6H2,1-2H3,(H,11,12);3-7H,1-2H3,(H,11,12);3*3-8H,1-2H3;3-7H,1-2H3,(H,11,12);3-6H,1-2H3,(H,10,13);3-6,10H,1-2H3;2*3-7H,1-2H3;3-6H,1-2H3,(H,10,12);3-7H,1-2H3;6-7H,3-5H2,1-2H3;18*1-2H3
InChIKeyMGXAYEWTMRIQIS-UHFFFAOYSA-N
XLogP58.17
TPSA512.13 Ų
H-Bond Donors9
H-Bond Acceptors37
Rotatable Bonds18
Heavy Atoms257
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003523.33
LogP ≤ 558.17
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1037

Analyze ethane;4-propan-2-yl-1H-benzimidazole;3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine;4-propan-2-yl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;3-propan-2-ylimidazo[1,5-a]pyrazine;3-propan-2-yl-7H-imidazo[1,2-a]pyrazin-8-one;5-propan-2-ylimidazo[1,2-a]pyridine;8-propan-2-ylimidazo[1,2-a]pyridine;8-propan-2-ylimidazo[1,5-a]pyridine;4-propan-2-yl-1H-indole;3-propan-2-ylpyrazolo[1,5-a]pyrazine;3-propan-2-ylpyrazolo[1,5-a]pyrimidine;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;7-propan-2-yl-1H-pyrrolo[3,2-b]pyridine;5-propan-2-yl-7H-pyrrolo[2,3-c]pyridazine;3-propan-2-yl-1H-pyrrolo[2,3-d]pyridazine;3-propan-2-yl-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine;3-propan-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepine;2-propan-2-yl-4,5,6,8-tetrahydropyrazolo[1,5-d][1,4]diazepin-7-one with MolForge

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Related Compounds

US20240025884, Example 164
CID 170672816
US20240025884, Example 167
CID 170672846
US20240025884, Example 225
CID 170672850
US20240025884, Example 165
CID 170672911
US20240025884, Example 158
CID 170673030
US20240025884, Example 224
CID 170673069
US20240025884, Example 223
CID 170673093
US20240025884, Example 162
CID 170673144
US20240025884, Example 222
CID 170673264
CID 157533328
CID 157533328
ethane;3-propan-2-yl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine;3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine;3-propan-2-ylimidazo[1,2-a]pyrazine;3-propan-2-ylimidazo[1,5-a]pyrazine;3-propan-2-yl-7H-imidazo[1,2-a]pyrazin-8-one;3-propan-2-ylimidazo[1,2-a]pyrimidine;3-propan-2-ylpyrazolo[1,5-a]pyrazine;3-propan-2-ylpyrazolo[1,5-a]pyrimidine;5-propan-2-yl-7H-pyrrolo[2,3-c]pyridazine;3-propan-2-yl-1H-pyrrolo[2,3-d]pyridazine;3-propan-2-yl-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine;3-propan-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepine;2-propan-2-yl-4,5,6,8-tetrahydropyrazolo[1,5-d][1,4]diazepin-7-one;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine
CID 157631737
1,4-di(propan-2-yl)pyrrolo[2,3-b]pyridine;1-ethyl-4-propan-2-ylpyrrolo[2,3-b]pyridine;1-(2-methoxyethyl)-4-propan-2-ylpyrrolo[2,3-b]pyridine;1-methyl-4-propan-2-ylbenzimidazole;(6S)-6-methyl-3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine;6-methyl-2-propan-2-yl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one;1-methyl-4-propan-2-yl-2,3-dihydropyrrolo[2,3-b]pyridine;7-methyl-3-propan-2-ylimidazo[1,2-a]pyrazin-8-one;1-methyl-4-propan-2-ylindole;1-methyl-4-propan-2-ylpyrrolo[2,3-b]pyridine;1-methyl-3-propan-2-ylpyrrolo[2,3-d]pyridazine;4-propan-2-yl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;4-propan-2-yl-1H-indole;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;3-propan-2-yl-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine;3-propan-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepine
CID 158176627

Frequently Asked Questions

What is the IUPAC name of ethane;4-propan-2-yl-1H-benzimidazole;3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine;4-propan-2-yl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;3-propan-2-ylimidazo[1,5-a]pyrazine;3-propan-2-yl-7H-imidazo[1,2-a]pyrazin-8-one;5-propan-2-ylimidazo[1,2-a]pyridine;8-propan-2-ylimidazo[1,2-a]pyridine;8-propan-2-ylimidazo[1,5-a]pyridine;4-propan-2-yl-1H-indole;3-propan-2-ylpyrazolo[1,5-a]pyrazine;3-propan-2-ylpyrazolo[1,5-a]pyrimidine;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;7-propan-2-yl-1H-pyrrolo[3,2-b]pyridine;5-propan-2-yl-7H-pyrrolo[2,3-c]pyridazine;3-propan-2-yl-1H-pyrrolo[2,3-d]pyridazine;3-propan-2-yl-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine;3-propan-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepine;2-propan-2-yl-4,5,6,8-tetrahydropyrazolo[1,5-d][1,4]diazepin-7-one?
The IUPAC name of ethane;4-propan-2-yl-1H-benzimidazole;3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine;4-propan-2-yl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;3-propan-2-ylimidazo[1,5-a]pyrazine;3-propan-2-yl-7H-imidazo[1,2-a]pyrazin-8-one;5-propan-2-ylimidazo[1,2-a]pyridine;8-propan-2-ylimidazo[1,2-a]pyridine;8-propan-2-ylimidazo[1,5-a]pyridine;4-propan-2-yl-1H-indole;3-propan-2-ylpyrazolo[1,5-a]pyrazine;3-propan-2-ylpyrazolo[1,5-a]pyrimidine;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;7-propan-2-yl-1H-pyrrolo[3,2-b]pyridine;5-propan-2-yl-7H-pyrrolo[2,3-c]pyridazine;3-propan-2-yl-1H-pyrrolo[2,3-d]pyridazine;3-propan-2-yl-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine;3-propan-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepine;2-propan-2-yl-4,5,6,8-tetrahydropyrazolo[1,5-d][1,4]diazepin-7-one (CID 157494923) is ethane;4-propan-2-yl-1H-benzimidazole;3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine;4-propan-2-yl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;3-propan-2-ylimidazo[1,5-a]pyrazine;3-propan-2-yl-7H-imidazo[1,2-a]pyrazin-8-one;5-propan-2-ylimidazo[1,2-a]pyridine;8-propan-2-ylimidazo[1,2-a]pyridine;8-propan-2-ylimidazo[1,5-a]pyridine;4-propan-2-yl-1H-indole;3-propan-2-ylpyrazolo[1,5-a]pyrazine;3-propan-2-ylpyrazolo[1,5-a]pyrimidine;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;7-propan-2-yl-1H-pyrrolo[3,2-b]pyridine;5-propan-2-yl-7H-pyrrolo[2,3-c]pyridazine;3-propan-2-yl-1H-pyrrolo[2,3-d]pyridazine;3-propan-2-yl-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine;3-propan-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepine;2-propan-2-yl-4,5,6,8-tetrahydropyrazolo[1,5-d][1,4]diazepin-7-one.
What is the SMILES notation for ethane;4-propan-2-yl-1H-benzimidazole;3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine;4-propan-2-yl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;3-propan-2-ylimidazo[1,5-a]pyrazine;3-propan-2-yl-7H-imidazo[1,2-a]pyrazin-8-one;5-propan-2-ylimidazo[1,2-a]pyridine;8-propan-2-ylimidazo[1,2-a]pyridine;8-propan-2-ylimidazo[1,5-a]pyridine;4-propan-2-yl-1H-indole;3-propan-2-ylpyrazolo[1,5-a]pyrazine;3-propan-2-ylpyrazolo[1,5-a]pyrimidine;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;7-propan-2-yl-1H-pyrrolo[3,2-b]pyridine;5-propan-2-yl-7H-pyrrolo[2,3-c]pyridazine;3-propan-2-yl-1H-pyrrolo[2,3-d]pyridazine;3-propan-2-yl-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine;3-propan-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepine;2-propan-2-yl-4,5,6,8-tetrahydropyrazolo[1,5-d][1,4]diazepin-7-one?
The canonical SMILES for ethane;4-propan-2-yl-1H-benzimidazole;3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine;4-propan-2-yl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;3-propan-2-ylimidazo[1,5-a]pyrazine;3-propan-2-yl-7H-imidazo[1,2-a]pyrazin-8-one;5-propan-2-ylimidazo[1,2-a]pyridine;8-propan-2-ylimidazo[1,2-a]pyridine;8-propan-2-ylimidazo[1,5-a]pyridine;4-propan-2-yl-1H-indole;3-propan-2-ylpyrazolo[1,5-a]pyrazine;3-propan-2-ylpyrazolo[1,5-a]pyrimidine;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;7-propan-2-yl-1H-pyrrolo[3,2-b]pyridine;5-propan-2-yl-7H-pyrrolo[2,3-c]pyridazine;3-propan-2-yl-1H-pyrrolo[2,3-d]pyridazine;3-propan-2-yl-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine;3-propan-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepine;2-propan-2-yl-4,5,6,8-tetrahydropyrazolo[1,5-d][1,4]diazepin-7-one is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)c1c[nH]c2cnncc12.CC(C)c1c[nH]c2nnccc12.CC(C)c1cc2n(n1)CC(=O)NCC2.CC(C)c1cccc2[nH]ccc12.CC(C)c1cccc2[nH]cnc12.CC(C)c1cccc2nccn12.CC(C)c1cccn2ccnc12.CC(C)c1cccn2cncc12.CC(C)c1ccnc2[nH]ccc12.CC(C)c1ccnc2c1CCN2.CC(C)c1ccnc2cc[nH]c12.CC(C)c1cnc2c(=O)[nH]ccn12.CC(C)c1cnc2n1CCCCC2.CC(C)c1cnn2c1CCCCC2.CC(C)c1cnn2c1OCCC2.CC(C)c1cnn2cccnc12.CC(C)c1cnn2ccncc12.CC(C)c1ncc2cnccn12.
What is the InChIKey of ethane;4-propan-2-yl-1H-benzimidazole;3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine;4-propan-2-yl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;3-propan-2-ylimidazo[1,5-a]pyrazine;3-propan-2-yl-7H-imidazo[1,2-a]pyrazin-8-one;5-propan-2-ylimidazo[1,2-a]pyridine;8-propan-2-ylimidazo[1,2-a]pyridine;8-propan-2-ylimidazo[1,5-a]pyridine;4-propan-2-yl-1H-indole;3-propan-2-ylpyrazolo[1,5-a]pyrazine;3-propan-2-ylpyrazolo[1,5-a]pyrimidine;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;7-propan-2-yl-1H-pyrrolo[3,2-b]pyridine;5-propan-2-yl-7H-pyrrolo[2,3-c]pyridazine;3-propan-2-yl-1H-pyrrolo[2,3-d]pyridazine;3-propan-2-yl-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine;3-propan-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepine;2-propan-2-yl-4,5,6,8-tetrahydropyrazolo[1,5-d][1,4]diazepin-7-one?
The InChIKey is MGXAYEWTMRIQIS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H18N2.C11H13N.C10H15N3O.C10H12N2.C10H14N2.5C10H12N2.C9H11N3O.5C9H11N3.C9H14N2O.18C2H6/c1-9(2)10-8-12-11-6-4-3-5-7-13(10)11;1-9(2)10-8-12-13-7-5-3-4-6-11(10)13;1-8(2)9-4-3-5-11-10(9)6-7-12-11;1-7(2)9-5-8-3-4-11-10(14)6-13(8)12-9;1-7(2)8-3-5-11-9-4-6-12-10(8)9;2*1-7(2)8-3-5-11-10-9(8)4-6-12-10;1-8(2)9-4-3-6-12-7-5-11-10(9)12;1-8(2)9-4-3-5-12-7-11-6-10(9)12;1-8(2)9-4-3-5-10-11-6-7-12(9)10;1-7(2)8-4-3-5-9-10(8)12-6-11-9;1-6(2)7-5-11-8-9(13)10-3-4-12(7)8;1-6(2)7-3-10-9-5-12-11-4-8(7)9;1-7(2)8-5-11-12-4-3-10-6-9(8)12;1-7(2)9-11-6-8-5-10-3-4-12(8)9;1-6(2)8-5-10-9-7(8)3-4-11-12-9;1-7(2)8-6-11-12-5-3-4-10-9(8)12;1-7(2)8-6-10-11-4-3-5-12-9(8)11;18*1-2/h2*8-9H,3-7H2,1-2H3;3-8,12H,1-2H3;5,7H,3-4,6H2,1-2H3,(H,11,14);3-7,12H,1-2H3;3,5,7H,4,6H2,1-2H3,(H,11,12);3-7H,1-2H3,(H,11,12);3*3-8H,1-2H3;3-7H,1-2H3,(H,11,12);3-6H,1-2H3,(H,10,13);3-6,10H,1-2H3;2*3-7H,1-2H3;3-6H,1-2H3,(H,10,12);3-7H,1-2H3;6-7H,3-5H2,1-2H3;18*1-2H3.
What are the key properties of ethane;4-propan-2-yl-1H-benzimidazole;3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine;4-propan-2-yl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;3-propan-2-ylimidazo[1,5-a]pyrazine;3-propan-2-yl-7H-imidazo[1,2-a]pyrazin-8-one;5-propan-2-ylimidazo[1,2-a]pyridine;8-propan-2-ylimidazo[1,2-a]pyridine;8-propan-2-ylimidazo[1,5-a]pyridine;4-propan-2-yl-1H-indole;3-propan-2-ylpyrazolo[1,5-a]pyrazine;3-propan-2-ylpyrazolo[1,5-a]pyrimidine;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;7-propan-2-yl-1H-pyrrolo[3,2-b]pyridine;5-propan-2-yl-7H-pyrrolo[2,3-c]pyridazine;3-propan-2-yl-1H-pyrrolo[2,3-d]pyridazine;3-propan-2-yl-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine;3-propan-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepine;2-propan-2-yl-4,5,6,8-tetrahydropyrazolo[1,5-d][1,4]diazepin-7-one?
ethane;4-propan-2-yl-1H-benzimidazole;3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine;4-propan-2-yl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;3-propan-2-ylimidazo[1,5-a]pyrazine;3-propan-2-yl-7H-imidazo[1,2-a]pyrazin-8-one;5-propan-2-ylimidazo[1,2-a]pyridine;8-propan-2-ylimidazo[1,2-a]pyridine;8-propan-2-ylimidazo[1,5-a]pyridine;4-propan-2-yl-1H-indole;3-propan-2-ylpyrazolo[1,5-a]pyrazine;3-propan-2-ylpyrazolo[1,5-a]pyrimidine;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;7-propan-2-yl-1H-pyrrolo[3,2-b]pyridine;5-propan-2-yl-7H-pyrrolo[2,3-c]pyridazine;3-propan-2-yl-1H-pyrrolo[2,3-d]pyridazine;3-propan-2-yl-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine;3-propan-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepine;2-propan-2-yl-4,5,6,8-tetrahydropyrazolo[1,5-d][1,4]diazepin-7-one has a molecular weight of 3523.33 g/mol, XLogP of 58.17, 18 rotatable bonds, 9 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-propan-2-yl-1H-benzimidazole;3-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine;4-propan-2-yl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;3-propan-2-ylimidazo[1,5-a]pyrazine;3-propan-2-yl-7H-imidazo[1,2-a]pyrazin-8-one;5-propan-2-ylimidazo[1,2-a]pyridine;8-propan-2-ylimidazo[1,2-a]pyridine;8-propan-2-ylimidazo[1,5-a]pyridine;4-propan-2-yl-1H-indole;3-propan-2-ylpyrazolo[1,5-a]pyrazine;3-propan-2-ylpyrazolo[1,5-a]pyrimidine;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;7-propan-2-yl-1H-pyrrolo[3,2-b]pyridine;5-propan-2-yl-7H-pyrrolo[2,3-c]pyridazine;3-propan-2-yl-1H-pyrrolo[2,3-d]pyridazine;3-propan-2-yl-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine;3-propan-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepine;2-propan-2-yl-4,5,6,8-tetrahydropyrazolo[1,5-d][1,4]diazepin-7-one is sourced from PubChem (CID 157494923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).