1-propan-2-ylbenzimidazole;3-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-yl-2H-indazole;3-propan-2-ylpyrazolo[1,5-a]pyridine;2-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;3-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole;3-propan-2-yl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole;2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;3-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;3-propan-2-yl-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazole;3-propan-2-yl-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazole 5,5-dioxide

C117H170N24O3S2 — CID 159147107

IUPAC1-propan-2-ylbenzimidazole;3-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-yl-2H-indazole;3-propan-2-ylpyrazolo[1,5-a]pyridine;2-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;3-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole;3-propan-2-yl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole;2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;3-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;3-propan-2-yl-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazole;3-propan-2-yl-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazole 5,5-dioxide
SMILESCC(C)c1[nH]nc2ccccc12.CC(C)c1cc2n(n1)CCCC2.CC(C)c1cn2c(n1)CCCC2.CC(C)c1cnc2ccccn12.CC(C)c1cnc2n1CCCC2.CC(C)c1cnn2c1CCCC2.CC(C)c1cnn2ccccc12.CC(C)c1n[nH]c2c1CCCC2.CC(C)c1n[nH]c2c1COCC2.CC(C)c1n[nH]c2c1CS(=O)(=O)CC2.CC(C)c1n[nH]c2c1CSCC2.CC(C)n1cnc2ccccc21
InChIInChI=1S/2C10H16N2.C10H12N2.C10H16N2.2C10H12N2.2C10H16N2.C10H12N2.C9H14N2O2S.C9H14N2O.C9H14N2S/c1-8(2)9-7-12-6-4-3-5-10(12)11-9;2*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;1-8(2)10-7-9-5-3-4-6-12(9)11-10;2*1-7(2)10-8-5-3-4-6-9(8)11-12-10;1-6(2)9-7-5-14(12,13)4-3-8(7)10-11-9;2*1-6(2)9-7-5-12-4-3-8(7)10-11-9/h2*7-8H,3-6H2,1-2H3;3-8H,1-2H3;7-8H,3-6H2,1-2H3;2*3-8H,1-2H3;7-8H,3-6H2,1-2H3;7H,3-6H2,1-2H3,(H,11,12);3-7H,1-2H3,(H,11,12);6H,3-5H2,1-2H3,(H,10,11);2*6H,3-5H2,1-2H3,(H,10,11)
InChIKeyKIUYSYBVLBAIEE-UHFFFAOYSA-N
MW2024.95 g/mol
LogP26.93
Rot. Bonds12

About 1-propan-2-ylbenzimidazole;3-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-yl-2H-indazole;3-propan-2-ylpyrazolo[1,5-a]pyridine;2-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;3-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole;3-propan-2-yl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole;2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;3-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;3-propan-2-yl-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazole;3-propan-2-yl-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazole 5,5-dioxide

1-propan-2-ylbenzimidazole;3-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-yl-2H-indazole;3-propan-2-ylpyrazolo[1,5-a]pyridine;2-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;3-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole;3-propan-2-yl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole;2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;3-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;3-propan-2-yl-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazole;3-propan-2-yl-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazole 5,5-dioxide (PubChem CID 159147107) has the molecular formula C117H170N24O3S2 and a molecular weight of 2024.95 g/mol. Its IUPAC name is 1-propan-2-ylbenzimidazole;3-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-yl-2H-indazole;3-propan-2-ylpyrazolo[1,5-a]pyridine;2-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;3-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole;3-propan-2-yl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole;2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;3-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;3-propan-2-yl-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazole;3-propan-2-yl-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazole 5,5-dioxide.

Molecular Properties

Compound Name1-propan-2-ylbenzimidazole;3-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-yl-2H-indazole;3-propan-2-ylpyrazolo[1,5-a]pyridine;2-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;3-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole;3-propan-2-yl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole;2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;3-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;3-propan-2-yl-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazole;3-propan-2-yl-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazole 5,5-dioxide
PubChem CID159147107
Molecular FormulaC117H170N24O3S2
Molecular Weight2024.95 g/mol
Exact Mass2023.33
IUPAC Name1-propan-2-ylbenzimidazole;3-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-yl-2H-indazole;3-propan-2-ylpyrazolo[1,5-a]pyridine;2-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;3-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole;3-propan-2-yl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole;2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;3-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;3-propan-2-yl-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazole;3-propan-2-yl-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazole 5,5-dioxide
SMILESCC(C)c1[nH]nc2ccccc12.CC(C)c1cc2n(n1)CCCC2.CC(C)c1cn2c(n1)CCCC2.CC(C)c1cnc2ccccn12.CC(C)c1cnc2n1CCCC2.CC(C)c1cnn2c1CCCC2.CC(C)c1cnn2ccccc12.CC(C)c1n[nH]c2c1CCCC2.CC(C)c1n[nH]c2c1COCC2.CC(C)c1n[nH]c2c1CS(=O)(=O)CC2.CC(C)c1n[nH]c2c1CSCC2.CC(C)n1cnc2ccccc21
InChIInChI=1S/2C10H16N2.C10H12N2.C10H16N2.2C10H12N2.2C10H16N2.C10H12N2.C9H14N2O2S.C9H14N2O.C9H14N2S/c1-8(2)9-7-12-6-4-3-5-10(12)11-9;2*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;1-8(2)10-7-9-5-3-4-6-12(9)11-10;2*1-7(2)10-8-5-3-4-6-9(8)11-12-10;1-6(2)9-7-5-14(12,13)4-3-8(7)10-11-9;2*1-6(2)9-7-5-12-4-3-8(7)10-11-9/h2*7-8H,3-6H2,1-2H3;3-8H,1-2H3;7-8H,3-6H2,1-2H3;2*3-8H,1-2H3;7-8H,3-6H2,1-2H3;7H,3-6H2,1-2H3,(H,11,12);3-7H,1-2H3,(H,11,12);6H,3-5H2,1-2H3,(H,10,11);2*6H,3-5H2,1-2H3,(H,10,11)
InChIKeyKIUYSYBVLBAIEE-UHFFFAOYSA-N
XLogP26.93
TPSA310.47 Ų
H-Bond Donors5
H-Bond Acceptors23
Rotatable Bonds12
Heavy Atoms146
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002024.95
LogP ≤ 526.93
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1023

Analyze 1-propan-2-ylbenzimidazole;3-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-yl-2H-indazole;3-propan-2-ylpyrazolo[1,5-a]pyridine;2-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;3-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole;3-propan-2-yl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole;2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;3-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;3-propan-2-yl-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazole;3-propan-2-yl-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazole 5,5-dioxide with MolForge

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Related Compounds

CID 159457919
CID 159457919
CID 159863556
CID 159863556
N-benzyl-2-cyclohexyl-5-phenylpyrrolo[2,1-f][1,2,4]triazin-4-amine;N-benzyl-5-(3,6-dihydro-2H-pyran-4-yl)-2-(5-methylsulfonyl-3-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-(6-methylsulfonylpyrazin-2-yl)-5-phenyl-N-(pyridin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;5-phenyl-2-(1H-pyrazol-5-yl)-N-(pyridin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 157299428
5-[2-(3,4-difluorophenyl)-3-pyridinyl]-1H-indazole;6-[2-(2-fluoro-5-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine;6-[2-(3-fluorophenyl)-3-pyridinyl]imidazo[1,2-a]pyridine;5-[2-(2-fluorophenyl)-3-pyridinyl]-1H-indazole;6-[2-[3-(methylsulfonylmethyl)phenyl]-3-pyridinyl]imidazo[1,2-a]pyridine
CID 157413318
5-[1-(benzenesulfonyl)indol-3-yl]-3-[4-(methoxymethyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridine;5-(1H-indol-3-yl)-3-[4-(methoxymethyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridine;4-[3-[4-(methoxymethyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]benzenesulfonamide;3-[4-(methoxymethyl)-1H-benzimidazol-2-yl]-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2H-pyrazolo[3,4-b]pyridine
CID 157473514
3-propan-2-yl-8aH-imidazo[1,2-a]pyridin-4-ium;1-propan-2-ylbenzimidazole;3-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-yl-2H-indazole;2-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;3-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole;3-propan-2-yl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole;2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;3-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;3-propan-2-yl-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazole;3-propan-2-yl-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazole 5,5-dioxide
CID 157685449
3-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;1-propan-2-ylbenzimidazole;3-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-yl-2H-indazole;3-propan-2-ylpyrazolo[1,5-a]pyridine;2-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;3-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole;3-propan-2-yl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole;2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;3-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;3-propan-2-yl-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazole;3-propan-2-yl-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazole 5,5-dioxide
CID 158054097
azane;3-(indolizin-6-ylmethyl)-5-(6-isocyano-3-pyridinyl)triazolo[4,5-b]pyrazine;2-[4-[3-(indolizin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol;3-(1-indolizin-6-ylpropyl)-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine;3-N-[(1R)-1-[3-(methoxymethyl)indolizin-6-yl]ethyl]-5-(1-methylpyrazol-4-yl)pyrazine-2,3-diamine;5-(1-methylpyrazol-4-yl)-3-(pyrazolo[1,5-a]pyridin-6-ylmethyl)triazolo[4,5-b]pyrazine;2-[4-[3-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol
CID 158600766
1-[5-[3-[4-(methoxymethyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylmethanamine;1-[5-[3-[4-(methoxymethyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-N-methylmethanamine;N-[[5-[3-[4-(methoxymethyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]-2-methylpropan-2-amine;4-[[5-[3-[4-(methoxymethyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]morpholine
CID 158703195
6-(Aminomethyl)-5-(1,1-dioxothian-4-yl)-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(1,1-dioxothian-4-yl)-6-(methoxymethyl)-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(1,1-dioxothian-4-yl)-6-(methylaminomethyl)-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(1,1-dioxothian-4-yl)-6-(methylaminomethyl)-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(1,1-dioxothian-4-yl)-6-(methylaminomethyl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 159149564
2-methoxy-N-[[5-[3-[4-(methoxymethyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine;[5-[3-[4-(methoxymethyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methanamine;N-[[5-[3-[4-(methoxymethyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]-N',N'-dimethylethane-1,2-diamine;N-[[5-[3-[4-(methoxymethyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]-2-morpholin-4-ylethanamine
CID 159346431
2-[[5-[3-[4-(methoxymethyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methylamino]ethanol;N-[[5-[3-[4-(methoxymethyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]butan-1-amine;N-[[5-[3-[4-(methoxymethyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]-1-methylpiperidin-4-amine;N-[[5-[3-[4-(methoxymethyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]propan-1-amine
CID 159432803

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-ylbenzimidazole;3-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-yl-2H-indazole;3-propan-2-ylpyrazolo[1,5-a]pyridine;2-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;3-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole;3-propan-2-yl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole;2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;3-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;3-propan-2-yl-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazole;3-propan-2-yl-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazole 5,5-dioxide?
The IUPAC name of 1-propan-2-ylbenzimidazole;3-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-yl-2H-indazole;3-propan-2-ylpyrazolo[1,5-a]pyridine;2-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;3-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole;3-propan-2-yl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole;2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;3-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;3-propan-2-yl-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazole;3-propan-2-yl-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazole 5,5-dioxide (CID 159147107) is 1-propan-2-ylbenzimidazole;3-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-yl-2H-indazole;3-propan-2-ylpyrazolo[1,5-a]pyridine;2-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;3-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole;3-propan-2-yl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole;2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;3-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;3-propan-2-yl-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazole;3-propan-2-yl-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazole 5,5-dioxide.
What is the SMILES notation for 1-propan-2-ylbenzimidazole;3-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-yl-2H-indazole;3-propan-2-ylpyrazolo[1,5-a]pyridine;2-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;3-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole;3-propan-2-yl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole;2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;3-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;3-propan-2-yl-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazole;3-propan-2-yl-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazole 5,5-dioxide?
The canonical SMILES for 1-propan-2-ylbenzimidazole;3-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-yl-2H-indazole;3-propan-2-ylpyrazolo[1,5-a]pyridine;2-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;3-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole;3-propan-2-yl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole;2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;3-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;3-propan-2-yl-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazole;3-propan-2-yl-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazole 5,5-dioxide is CC(C)c1[nH]nc2ccccc12.CC(C)c1cc2n(n1)CCCC2.CC(C)c1cn2c(n1)CCCC2.CC(C)c1cnc2ccccn12.CC(C)c1cnc2n1CCCC2.CC(C)c1cnn2c1CCCC2.CC(C)c1cnn2ccccc12.CC(C)c1n[nH]c2c1CCCC2.CC(C)c1n[nH]c2c1COCC2.CC(C)c1n[nH]c2c1CS(=O)(=O)CC2.CC(C)c1n[nH]c2c1CSCC2.CC(C)n1cnc2ccccc21.
What is the InChIKey of 1-propan-2-ylbenzimidazole;3-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-yl-2H-indazole;3-propan-2-ylpyrazolo[1,5-a]pyridine;2-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;3-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole;3-propan-2-yl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole;2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;3-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;3-propan-2-yl-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazole;3-propan-2-yl-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazole 5,5-dioxide?
The InChIKey is KIUYSYBVLBAIEE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H16N2.C10H12N2.C10H16N2.2C10H12N2.2C10H16N2.C10H12N2.C9H14N2O2S.C9H14N2O.C9H14N2S/c1-8(2)9-7-12-6-4-3-5-10(12)11-9;2*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;1-8(2)10-7-9-5-3-4-6-12(9)11-10;2*1-7(2)10-8-5-3-4-6-9(8)11-12-10;1-6(2)9-7-5-14(12,13)4-3-8(7)10-11-9;2*1-6(2)9-7-5-12-4-3-8(7)10-11-9/h2*7-8H,3-6H2,1-2H3;3-8H,1-2H3;7-8H,3-6H2,1-2H3;2*3-8H,1-2H3;7-8H,3-6H2,1-2H3;7H,3-6H2,1-2H3,(H,11,12);3-7H,1-2H3,(H,11,12);6H,3-5H2,1-2H3,(H,10,11);2*6H,3-5H2,1-2H3,(H,10,11).
What are the key properties of 1-propan-2-ylbenzimidazole;3-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-yl-2H-indazole;3-propan-2-ylpyrazolo[1,5-a]pyridine;2-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;3-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole;3-propan-2-yl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole;2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;3-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;3-propan-2-yl-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazole;3-propan-2-yl-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazole 5,5-dioxide?
1-propan-2-ylbenzimidazole;3-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-yl-2H-indazole;3-propan-2-ylpyrazolo[1,5-a]pyridine;2-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;3-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole;3-propan-2-yl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole;2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;3-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;3-propan-2-yl-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazole;3-propan-2-yl-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazole 5,5-dioxide has a molecular weight of 2024.95 g/mol, XLogP of 26.93, 12 rotatable bonds, 5 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-ylbenzimidazole;3-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-yl-2H-indazole;3-propan-2-ylpyrazolo[1,5-a]pyridine;2-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;3-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole;3-propan-2-yl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole;2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;3-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;3-propan-2-yl-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazole;3-propan-2-yl-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazole 5,5-dioxide is sourced from PubChem (CID 159147107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).