4-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1H-imidazo[4,5-b]pyridine;7-propan-2-yl-1H-imidazo[4,5-b]pyridine;4-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indole;4-propan-2-yl-8H-pyrazino[1,2-a]pyrimidine;4-propan-2-yl-8H-pyrazino[1,2-a][1,3,5]triazine;4-propan-2-yl-1H-pyrazolo[3,4-b]pyridine;5-propan-2-yl-1H-pyrazolo[3,4-b]pyridine;5-propan-2-ylpyrido[2,3-c]pyridazine;4-propan-2-ylpyrido[2,3-d]pyridazine;4-propan-2-yl-6H-pyrimido[1,6-a]pyrimidine;4-propan-2-ylpyrimido[1,6-a][1,3,5]triazin-6-one;5-propan-2-ylpyrimido[4,5-c]pyridazine;4-propan-2-ylpyrimido[4,5-d]pyridazine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine

C163H195N49O — CID 157430892

IUPAC4-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1H-imidazo[4,5-b]pyridine;7-propan-2-yl-1H-imidazo[4,5-b]pyridine;4-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indole;4-propan-2-yl-8H-pyrazino[1,2-a]pyrimidine;4-propan-2-yl-8H-pyrazino[1,2-a][1,3,5]triazine;4-propan-2-yl-1H-pyrazolo[3,4-b]pyridine;5-propan-2-yl-1H-pyrazolo[3,4-b]pyridine;5-propan-2-ylpyrido[2,3-c]pyridazine;4-propan-2-ylpyrido[2,3-d]pyridazine;4-propan-2-yl-6H-pyrimido[1,6-a]pyrimidine;4-propan-2-ylpyrimido[1,6-a][1,3,5]triazin-6-one;5-propan-2-ylpyrimido[4,5-c]pyridazine;4-propan-2-ylpyrimido[4,5-d]pyridazine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine
SMILESCC(C)C1=CC=NC2=CC=NCN21.CC(C)C1=CC=NC2=CNC=CN21.CC(C)C1=NC=NC2=CNC=CN21.CC(C)c1ccc2[nH]ccc2c1.CC(C)c1ccc2[nH]ncc2c1.CC(C)c1cccc2[nH]cnc12.CC(C)c1cccc2[nH]ncc12.CC(C)c1ccnc2[nH]ncc12.CC(C)c1ccnc2cnncc12.CC(C)c1ccnc2nc[nH]c12.CC(C)c1ccnc2nnccc12.CC(C)c1cnc2[nH]ccc2c1.CC(C)c1cnc2[nH]ncc2c1.CC(C)c1cnc2nc[nH]c2c1.CC(C)c1ncnc2ccnc(=O)n12.CC(C)c1ncnc2cnncc12.CC(C)c1ncnc2nnccc12
InChIInChI=1S/C11H13N.C10H13N3.2C10H11N3.C10H13N3.4C10H12N2.C9H10N4O.C9H10N4.C9H12N4.C9H10N4.4C9H11N3/c1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-8(2)9-3-6-12-10-4-5-11-7-13(9)10;1-7(2)8-3-5-11-10-9(8)4-6-12-13-10;1-7(2)8-3-4-11-10-6-13-12-5-9(8)10;1-8(2)9-3-4-12-10-7-11-5-6-13(9)10;1-7(2)9-5-8-3-4-11-10(8)12-6-9;1-7(2)8-3-4-10-9(5-8)6-11-12-10;1-7(2)8-4-3-5-10-9(8)6-11-12-10;1-7(2)8-4-3-5-9-10(8)12-6-11-9;1-6(2)8-12-5-11-7-3-4-10-9(14)13(7)8;1-6(2)9-7-3-12-13-4-8(7)10-5-11-9;1-7(2)9-12-6-11-8-5-10-3-4-13(8)9;1-6(2)8-7-3-4-12-13-9(7)11-5-10-8;1-6(2)7-3-8-9(10-4-7)12-5-11-8;1-6(2)7-3-8-5-11-12-9(8)10-4-7;1-6(2)7-3-4-10-9-8(7)11-5-12-9;1-6(2)7-3-4-10-9-8(7)5-11-12-9/h3-8,12H,1-2H3;3-6,8H,7H2,1-2H3;2*3-7H,1-2H3;3-8,11H,1-2H3;4*3-7H,1-2H3,(H,11,12);3-6H,1-2H3;3-6H,1-2H3;3-7,10H,1-2H3;3-6H,1-2H3;4*3-6H,1-2H3,(H,10,11,12)
InChIKeyBQNCZMQLYFYJNA-UHFFFAOYSA-N
MW2856.69 g/mol
LogP35.19
Rot. Bonds17

About 4-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1H-imidazo[4,5-b]pyridine;7-propan-2-yl-1H-imidazo[4,5-b]pyridine;4-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indole;4-propan-2-yl-8H-pyrazino[1,2-a]pyrimidine;4-propan-2-yl-8H-pyrazino[1,2-a][1,3,5]triazine;4-propan-2-yl-1H-pyrazolo[3,4-b]pyridine;5-propan-2-yl-1H-pyrazolo[3,4-b]pyridine;5-propan-2-ylpyrido[2,3-c]pyridazine;4-propan-2-ylpyrido[2,3-d]pyridazine;4-propan-2-yl-6H-pyrimido[1,6-a]pyrimidine;4-propan-2-ylpyrimido[1,6-a][1,3,5]triazin-6-one;5-propan-2-ylpyrimido[4,5-c]pyridazine;4-propan-2-ylpyrimido[4,5-d]pyridazine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine

4-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1H-imidazo[4,5-b]pyridine;7-propan-2-yl-1H-imidazo[4,5-b]pyridine;4-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indole;4-propan-2-yl-8H-pyrazino[1,2-a]pyrimidine;4-propan-2-yl-8H-pyrazino[1,2-a][1,3,5]triazine;4-propan-2-yl-1H-pyrazolo[3,4-b]pyridine;5-propan-2-yl-1H-pyrazolo[3,4-b]pyridine;5-propan-2-ylpyrido[2,3-c]pyridazine;4-propan-2-ylpyrido[2,3-d]pyridazine;4-propan-2-yl-6H-pyrimido[1,6-a]pyrimidine;4-propan-2-ylpyrimido[1,6-a][1,3,5]triazin-6-one;5-propan-2-ylpyrimido[4,5-c]pyridazine;4-propan-2-ylpyrimido[4,5-d]pyridazine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine (PubChem CID 157430892) has the molecular formula C163H195N49O and a molecular weight of 2856.69 g/mol. Its IUPAC name is 4-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1H-imidazo[4,5-b]pyridine;7-propan-2-yl-1H-imidazo[4,5-b]pyridine;4-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indole;4-propan-2-yl-8H-pyrazino[1,2-a]pyrimidine;4-propan-2-yl-8H-pyrazino[1,2-a][1,3,5]triazine;4-propan-2-yl-1H-pyrazolo[3,4-b]pyridine;5-propan-2-yl-1H-pyrazolo[3,4-b]pyridine;5-propan-2-ylpyrido[2,3-c]pyridazine;4-propan-2-ylpyrido[2,3-d]pyridazine;4-propan-2-yl-6H-pyrimido[1,6-a]pyrimidine;4-propan-2-ylpyrimido[1,6-a][1,3,5]triazin-6-one;5-propan-2-ylpyrimido[4,5-c]pyridazine;4-propan-2-ylpyrimido[4,5-d]pyridazine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name4-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1H-imidazo[4,5-b]pyridine;7-propan-2-yl-1H-imidazo[4,5-b]pyridine;4-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indole;4-propan-2-yl-8H-pyrazino[1,2-a]pyrimidine;4-propan-2-yl-8H-pyrazino[1,2-a][1,3,5]triazine;4-propan-2-yl-1H-pyrazolo[3,4-b]pyridine;5-propan-2-yl-1H-pyrazolo[3,4-b]pyridine;5-propan-2-ylpyrido[2,3-c]pyridazine;4-propan-2-ylpyrido[2,3-d]pyridazine;4-propan-2-yl-6H-pyrimido[1,6-a]pyrimidine;4-propan-2-ylpyrimido[1,6-a][1,3,5]triazin-6-one;5-propan-2-ylpyrimido[4,5-c]pyridazine;4-propan-2-ylpyrimido[4,5-d]pyridazine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine
PubChem CID157430892
Molecular FormulaC163H195N49O
Molecular Weight2856.69 g/mol
Exact Mass2854.67
IUPAC Name4-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1H-imidazo[4,5-b]pyridine;7-propan-2-yl-1H-imidazo[4,5-b]pyridine;4-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indole;4-propan-2-yl-8H-pyrazino[1,2-a]pyrimidine;4-propan-2-yl-8H-pyrazino[1,2-a][1,3,5]triazine;4-propan-2-yl-1H-pyrazolo[3,4-b]pyridine;5-propan-2-yl-1H-pyrazolo[3,4-b]pyridine;5-propan-2-ylpyrido[2,3-c]pyridazine;4-propan-2-ylpyrido[2,3-d]pyridazine;4-propan-2-yl-6H-pyrimido[1,6-a]pyrimidine;4-propan-2-ylpyrimido[1,6-a][1,3,5]triazin-6-one;5-propan-2-ylpyrimido[4,5-c]pyridazine;4-propan-2-ylpyrimido[4,5-d]pyridazine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine
SMILESCC(C)C1=CC=NC2=CC=NCN21.CC(C)C1=CC=NC2=CNC=CN21.CC(C)C1=NC=NC2=CNC=CN21.CC(C)c1ccc2[nH]ccc2c1.CC(C)c1ccc2[nH]ncc2c1.CC(C)c1cccc2[nH]cnc12.CC(C)c1cccc2[nH]ncc12.CC(C)c1ccnc2[nH]ncc12.CC(C)c1ccnc2cnncc12.CC(C)c1ccnc2nc[nH]c12.CC(C)c1ccnc2nnccc12.CC(C)c1cnc2[nH]ccc2c1.CC(C)c1cnc2[nH]ncc2c1.CC(C)c1cnc2nc[nH]c2c1.CC(C)c1ncnc2ccnc(=O)n12.CC(C)c1ncnc2cnncc12.CC(C)c1ncnc2nnccc12
InChIInChI=1S/C11H13N.C10H13N3.2C10H11N3.C10H13N3.4C10H12N2.C9H10N4O.C9H10N4.C9H12N4.C9H10N4.4C9H11N3/c1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-8(2)9-3-6-12-10-4-5-11-7-13(9)10;1-7(2)8-3-5-11-10-9(8)4-6-12-13-10;1-7(2)8-3-4-11-10-6-13-12-5-9(8)10;1-8(2)9-3-4-12-10-7-11-5-6-13(9)10;1-7(2)9-5-8-3-4-11-10(8)12-6-9;1-7(2)8-3-4-10-9(5-8)6-11-12-10;1-7(2)8-4-3-5-10-9(8)6-11-12-10;1-7(2)8-4-3-5-9-10(8)12-6-11-9;1-6(2)8-12-5-11-7-3-4-10-9(14)13(7)8;1-6(2)9-7-3-12-13-4-8(7)10-5-11-9;1-7(2)9-12-6-11-8-5-10-3-4-13(8)9;1-6(2)8-7-3-4-12-13-9(7)11-5-10-8;1-6(2)7-3-8-9(10-4-7)12-5-11-8;1-6(2)7-3-8-5-11-12-9(8)10-4-7;1-6(2)7-3-4-10-9-8(7)11-5-12-9;1-6(2)7-3-4-10-9-8(7)5-11-12-9/h3-8,12H,1-2H3;3-6,8H,7H2,1-2H3;2*3-7H,1-2H3;3-8,11H,1-2H3;4*3-7H,1-2H3,(H,11,12);3-6H,1-2H3;3-6H,1-2H3;3-7,10H,1-2H3;3-6H,1-2H3;4*3-6H,1-2H3,(H,10,11,12)
InChIKeyBQNCZMQLYFYJNA-UHFFFAOYSA-N
XLogP35.19
TPSA632.98 Ų
H-Bond Donors11
H-Bond Acceptors41
Rotatable Bonds17
Heavy Atoms213
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002856.69
LogP ≤ 535.19
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1041

Analyze 4-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1H-imidazo[4,5-b]pyridine;7-propan-2-yl-1H-imidazo[4,5-b]pyridine;4-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indole;4-propan-2-yl-8H-pyrazino[1,2-a]pyrimidine;4-propan-2-yl-8H-pyrazino[1,2-a][1,3,5]triazine;4-propan-2-yl-1H-pyrazolo[3,4-b]pyridine;5-propan-2-yl-1H-pyrazolo[3,4-b]pyridine;5-propan-2-ylpyrido[2,3-c]pyridazine;4-propan-2-ylpyrido[2,3-d]pyridazine;4-propan-2-yl-6H-pyrimido[1,6-a]pyrimidine;4-propan-2-ylpyrimido[1,6-a][1,3,5]triazin-6-one;5-propan-2-ylpyrimido[4,5-c]pyridazine;4-propan-2-ylpyrimido[4,5-d]pyridazine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine with MolForge

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Related Compounds

N-[2-(7-methyl-1H-indazol-5-yl)-1-[1-(pyridin-3-ylmethyl)imidazol-2-yl]ethyl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide
CID 11238677
N-[2-(7-methyl-1H-indazol-5-yl)-1-[1-(pyridin-4-ylmethyl)imidazol-2-yl]ethyl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide
CID 11478841
N-[2-(7-methyl-1H-indazol-5-yl)-1-[1-[(2-methyl-4-pyridinyl)methyl]imidazol-2-yl]ethyl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide
CID 11478962
3-(1h-Indazol-4-yl)-7-(2-methyl-4-((1s,4s)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 49836427
3-(1H-indazol-4-yl)-7-(4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)naphthalen-1-yl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 49836649
(1S,4S)-2-(4-(3-(1H-indazol-4-yl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl)phenyl)-5-methyl-2,5-diazabicyclo[2.2.2]octane
CID 49836968
7-[2,6-difluoro-4-[(1S,4S)-5-(2-methylpropyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-3-(1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
CID 49837401
N-[2-(7-methyl-1H-indazol-5-yl)-1-[1-(pyridin-2-ylmethyl)imidazol-2-yl]ethyl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide
CID 11456078
2-(3-(1H-indazol-4-yl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl)-N,N-dimethyl-5-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)aniline
CID 49836646
3-(1H-indazol-4-yl)-7-(4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-3-(trifluoromethyl)phenyl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 49836648
3-(1H-indazol-4-yl)-7-(3-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 49836856
3-(1h-Indazol-4-yl)-7-(4-((1s,4s)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 52949635

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1H-imidazo[4,5-b]pyridine;7-propan-2-yl-1H-imidazo[4,5-b]pyridine;4-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indole;4-propan-2-yl-8H-pyrazino[1,2-a]pyrimidine;4-propan-2-yl-8H-pyrazino[1,2-a][1,3,5]triazine;4-propan-2-yl-1H-pyrazolo[3,4-b]pyridine;5-propan-2-yl-1H-pyrazolo[3,4-b]pyridine;5-propan-2-ylpyrido[2,3-c]pyridazine;4-propan-2-ylpyrido[2,3-d]pyridazine;4-propan-2-yl-6H-pyrimido[1,6-a]pyrimidine;4-propan-2-ylpyrimido[1,6-a][1,3,5]triazin-6-one;5-propan-2-ylpyrimido[4,5-c]pyridazine;4-propan-2-ylpyrimido[4,5-d]pyridazine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 4-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1H-imidazo[4,5-b]pyridine;7-propan-2-yl-1H-imidazo[4,5-b]pyridine;4-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indole;4-propan-2-yl-8H-pyrazino[1,2-a]pyrimidine;4-propan-2-yl-8H-pyrazino[1,2-a][1,3,5]triazine;4-propan-2-yl-1H-pyrazolo[3,4-b]pyridine;5-propan-2-yl-1H-pyrazolo[3,4-b]pyridine;5-propan-2-ylpyrido[2,3-c]pyridazine;4-propan-2-ylpyrido[2,3-d]pyridazine;4-propan-2-yl-6H-pyrimido[1,6-a]pyrimidine;4-propan-2-ylpyrimido[1,6-a][1,3,5]triazin-6-one;5-propan-2-ylpyrimido[4,5-c]pyridazine;4-propan-2-ylpyrimido[4,5-d]pyridazine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine (CID 157430892) is 4-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1H-imidazo[4,5-b]pyridine;7-propan-2-yl-1H-imidazo[4,5-b]pyridine;4-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indole;4-propan-2-yl-8H-pyrazino[1,2-a]pyrimidine;4-propan-2-yl-8H-pyrazino[1,2-a][1,3,5]triazine;4-propan-2-yl-1H-pyrazolo[3,4-b]pyridine;5-propan-2-yl-1H-pyrazolo[3,4-b]pyridine;5-propan-2-ylpyrido[2,3-c]pyridazine;4-propan-2-ylpyrido[2,3-d]pyridazine;4-propan-2-yl-6H-pyrimido[1,6-a]pyrimidine;4-propan-2-ylpyrimido[1,6-a][1,3,5]triazin-6-one;5-propan-2-ylpyrimido[4,5-c]pyridazine;4-propan-2-ylpyrimido[4,5-d]pyridazine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 4-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1H-imidazo[4,5-b]pyridine;7-propan-2-yl-1H-imidazo[4,5-b]pyridine;4-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indole;4-propan-2-yl-8H-pyrazino[1,2-a]pyrimidine;4-propan-2-yl-8H-pyrazino[1,2-a][1,3,5]triazine;4-propan-2-yl-1H-pyrazolo[3,4-b]pyridine;5-propan-2-yl-1H-pyrazolo[3,4-b]pyridine;5-propan-2-ylpyrido[2,3-c]pyridazine;4-propan-2-ylpyrido[2,3-d]pyridazine;4-propan-2-yl-6H-pyrimido[1,6-a]pyrimidine;4-propan-2-ylpyrimido[1,6-a][1,3,5]triazin-6-one;5-propan-2-ylpyrimido[4,5-c]pyridazine;4-propan-2-ylpyrimido[4,5-d]pyridazine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 4-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1H-imidazo[4,5-b]pyridine;7-propan-2-yl-1H-imidazo[4,5-b]pyridine;4-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indole;4-propan-2-yl-8H-pyrazino[1,2-a]pyrimidine;4-propan-2-yl-8H-pyrazino[1,2-a][1,3,5]triazine;4-propan-2-yl-1H-pyrazolo[3,4-b]pyridine;5-propan-2-yl-1H-pyrazolo[3,4-b]pyridine;5-propan-2-ylpyrido[2,3-c]pyridazine;4-propan-2-ylpyrido[2,3-d]pyridazine;4-propan-2-yl-6H-pyrimido[1,6-a]pyrimidine;4-propan-2-ylpyrimido[1,6-a][1,3,5]triazin-6-one;5-propan-2-ylpyrimido[4,5-c]pyridazine;4-propan-2-ylpyrimido[4,5-d]pyridazine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine is CC(C)C1=CC=NC2=CC=NCN21.CC(C)C1=CC=NC2=CNC=CN21.CC(C)C1=NC=NC2=CNC=CN21.CC(C)c1ccc2[nH]ccc2c1.CC(C)c1ccc2[nH]ncc2c1.CC(C)c1cccc2[nH]cnc12.CC(C)c1cccc2[nH]ncc12.CC(C)c1ccnc2[nH]ncc12.CC(C)c1ccnc2cnncc12.CC(C)c1ccnc2nc[nH]c12.CC(C)c1ccnc2nnccc12.CC(C)c1cnc2[nH]ccc2c1.CC(C)c1cnc2[nH]ncc2c1.CC(C)c1cnc2nc[nH]c2c1.CC(C)c1ncnc2ccnc(=O)n12.CC(C)c1ncnc2cnncc12.CC(C)c1ncnc2nnccc12.
What is the InChIKey of 4-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1H-imidazo[4,5-b]pyridine;7-propan-2-yl-1H-imidazo[4,5-b]pyridine;4-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indole;4-propan-2-yl-8H-pyrazino[1,2-a]pyrimidine;4-propan-2-yl-8H-pyrazino[1,2-a][1,3,5]triazine;4-propan-2-yl-1H-pyrazolo[3,4-b]pyridine;5-propan-2-yl-1H-pyrazolo[3,4-b]pyridine;5-propan-2-ylpyrido[2,3-c]pyridazine;4-propan-2-ylpyrido[2,3-d]pyridazine;4-propan-2-yl-6H-pyrimido[1,6-a]pyrimidine;4-propan-2-ylpyrimido[1,6-a][1,3,5]triazin-6-one;5-propan-2-ylpyrimido[4,5-c]pyridazine;4-propan-2-ylpyrimido[4,5-d]pyridazine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is BQNCZMQLYFYJNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N.C10H13N3.2C10H11N3.C10H13N3.4C10H12N2.C9H10N4O.C9H10N4.C9H12N4.C9H10N4.4C9H11N3/c1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-8(2)9-3-6-12-10-4-5-11-7-13(9)10;1-7(2)8-3-5-11-10-9(8)4-6-12-13-10;1-7(2)8-3-4-11-10-6-13-12-5-9(8)10;1-8(2)9-3-4-12-10-7-11-5-6-13(9)10;1-7(2)9-5-8-3-4-11-10(8)12-6-9;1-7(2)8-3-4-10-9(5-8)6-11-12-10;1-7(2)8-4-3-5-10-9(8)6-11-12-10;1-7(2)8-4-3-5-9-10(8)12-6-11-9;1-6(2)8-12-5-11-7-3-4-10-9(14)13(7)8;1-6(2)9-7-3-12-13-4-8(7)10-5-11-9;1-7(2)9-12-6-11-8-5-10-3-4-13(8)9;1-6(2)8-7-3-4-12-13-9(7)11-5-10-8;1-6(2)7-3-8-9(10-4-7)12-5-11-8;1-6(2)7-3-8-5-11-12-9(8)10-4-7;1-6(2)7-3-4-10-9-8(7)11-5-12-9;1-6(2)7-3-4-10-9-8(7)5-11-12-9/h3-8,12H,1-2H3;3-6,8H,7H2,1-2H3;2*3-7H,1-2H3;3-8,11H,1-2H3;4*3-7H,1-2H3,(H,11,12);3-6H,1-2H3;3-6H,1-2H3;3-7,10H,1-2H3;3-6H,1-2H3;4*3-6H,1-2H3,(H,10,11,12).
What are the key properties of 4-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1H-imidazo[4,5-b]pyridine;7-propan-2-yl-1H-imidazo[4,5-b]pyridine;4-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indole;4-propan-2-yl-8H-pyrazino[1,2-a]pyrimidine;4-propan-2-yl-8H-pyrazino[1,2-a][1,3,5]triazine;4-propan-2-yl-1H-pyrazolo[3,4-b]pyridine;5-propan-2-yl-1H-pyrazolo[3,4-b]pyridine;5-propan-2-ylpyrido[2,3-c]pyridazine;4-propan-2-ylpyrido[2,3-d]pyridazine;4-propan-2-yl-6H-pyrimido[1,6-a]pyrimidine;4-propan-2-ylpyrimido[1,6-a][1,3,5]triazin-6-one;5-propan-2-ylpyrimido[4,5-c]pyridazine;4-propan-2-ylpyrimido[4,5-d]pyridazine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine?
4-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1H-imidazo[4,5-b]pyridine;7-propan-2-yl-1H-imidazo[4,5-b]pyridine;4-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indole;4-propan-2-yl-8H-pyrazino[1,2-a]pyrimidine;4-propan-2-yl-8H-pyrazino[1,2-a][1,3,5]triazine;4-propan-2-yl-1H-pyrazolo[3,4-b]pyridine;5-propan-2-yl-1H-pyrazolo[3,4-b]pyridine;5-propan-2-ylpyrido[2,3-c]pyridazine;4-propan-2-ylpyrido[2,3-d]pyridazine;4-propan-2-yl-6H-pyrimido[1,6-a]pyrimidine;4-propan-2-ylpyrimido[1,6-a][1,3,5]triazin-6-one;5-propan-2-ylpyrimido[4,5-c]pyridazine;4-propan-2-ylpyrimido[4,5-d]pyridazine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 2856.69 g/mol, XLogP of 35.19, 17 rotatable bonds, 11 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1H-imidazo[4,5-b]pyridine;7-propan-2-yl-1H-imidazo[4,5-b]pyridine;4-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indole;4-propan-2-yl-8H-pyrazino[1,2-a]pyrimidine;4-propan-2-yl-8H-pyrazino[1,2-a][1,3,5]triazine;4-propan-2-yl-1H-pyrazolo[3,4-b]pyridine;5-propan-2-yl-1H-pyrazolo[3,4-b]pyridine;5-propan-2-ylpyrido[2,3-c]pyridazine;4-propan-2-ylpyrido[2,3-d]pyridazine;4-propan-2-yl-6H-pyrimido[1,6-a]pyrimidine;4-propan-2-ylpyrimido[1,6-a][1,3,5]triazin-6-one;5-propan-2-ylpyrimido[4,5-c]pyridazine;4-propan-2-ylpyrimido[4,5-d]pyridazine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 157430892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).