5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-1-methyl-3-propan-2-ylindole;1,2-dimethyl-7-propan-2-ylindole-3-carboxylic acid;1,5-dimethyl-7-propan-2-ylindole-2-carboxylic acid;1-methyl-5,7-di(propan-2-yl)indole-2-carboxamide;1-methyl-5-(4-methylpyrimidin-2-yl)-3-propan-2-ylindole;2-(1-methyl-3-propan-2-ylindol-5-yl)-5-phenyl-1,3,4-oxadiazole;1-methyl-3-propan-2-yl-5-(1H-1,2,4-triazol-5-yl)indole

C113H131N17O6 — CID 158106393

IUPAC5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-1-methyl-3-propan-2-ylindole;1,2-dimethyl-7-propan-2-ylindole-3-carboxylic acid;1,5-dimethyl-7-propan-2-ylindole-2-carboxylic acid;1-methyl-5,7-di(propan-2-yl)indole-2-carboxamide;1-methyl-5-(4-methylpyrimidin-2-yl)-3-propan-2-ylindole;2-(1-methyl-3-propan-2-ylindol-5-yl)-5-phenyl-1,3,4-oxadiazole;1-methyl-3-propan-2-yl-5-(1H-1,2,4-triazol-5-yl)indole
SMILESCC(C)c1cc(C(C)C)c2c(c1)cc(C(N)=O)n2C.CC(C)c1cn(C)c2ccc(-c3cn4c(n3)CCC4)cc12.CC(C)c1cn(C)c2ccc(-c3ncn[nH]3)cc12.CC(C)c1cn(C)c2ccc(-c3nnc(-c4ccccc4)o3)cc12.Cc1c(C(=O)O)c2cccc(C(C)C)c2n1C.Cc1cc(C(C)C)c2c(c1)cc(C(=O)O)n2C.Cc1ccnc(-c2ccc3c(c2)c(C(C)C)cn3C)n1
InChIInChI=1S/C20H19N3O.C18H21N3.C17H19N3.C16H22N2O.C14H16N4.2C14H17NO2/c1-13(2)17-12-23(3)18-10-9-15(11-16(17)18)20-22-21-19(24-20)14-7-5-4-6-8-14;1-12(2)15-10-20(3)17-7-6-13(9-14(15)17)16-11-21-8-4-5-18(21)19-16;1-11(2)15-10-20(4)16-6-5-13(9-14(15)16)17-18-8-7-12(3)19-17;1-9(2)11-6-12-8-14(16(17)19)18(5)15(12)13(7-11)10(3)4;1-9(2)12-7-18(3)13-5-4-10(6-11(12)13)14-15-8-16-17-14;1-8(2)11-6-9(3)5-10-7-12(14(16)17)15(4)13(10)11;1-8(2)10-6-5-7-11-12(14(16)17)9(3)15(4)13(10)11/h4-13H,1-3H3;6-7,9-12H,4-5,8H2,1-3H3;5-11H,1-4H3;6-10H,1-5H3,(H2,17,19);4-9H,1-3H3,(H,15,16,17);2*5-8H,1-4H3,(H,16,17)
InChIKeyFPWUJOPQVKWPQN-UHFFFAOYSA-N
MW1823.40 g/mol
LogP26.42
Rot. Bonds16

About 5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-1-methyl-3-propan-2-ylindole;1,2-dimethyl-7-propan-2-ylindole-3-carboxylic acid;1,5-dimethyl-7-propan-2-ylindole-2-carboxylic acid;1-methyl-5,7-di(propan-2-yl)indole-2-carboxamide;1-methyl-5-(4-methylpyrimidin-2-yl)-3-propan-2-ylindole;2-(1-methyl-3-propan-2-ylindol-5-yl)-5-phenyl-1,3,4-oxadiazole;1-methyl-3-propan-2-yl-5-(1H-1,2,4-triazol-5-yl)indole

5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-1-methyl-3-propan-2-ylindole;1,2-dimethyl-7-propan-2-ylindole-3-carboxylic acid;1,5-dimethyl-7-propan-2-ylindole-2-carboxylic acid;1-methyl-5,7-di(propan-2-yl)indole-2-carboxamide;1-methyl-5-(4-methylpyrimidin-2-yl)-3-propan-2-ylindole;2-(1-methyl-3-propan-2-ylindol-5-yl)-5-phenyl-1,3,4-oxadiazole;1-methyl-3-propan-2-yl-5-(1H-1,2,4-triazol-5-yl)indole (PubChem CID 158106393) has the molecular formula C113H131N17O6 and a molecular weight of 1823.40 g/mol. Its IUPAC name is 5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-1-methyl-3-propan-2-ylindole;1,2-dimethyl-7-propan-2-ylindole-3-carboxylic acid;1,5-dimethyl-7-propan-2-ylindole-2-carboxylic acid;1-methyl-5,7-di(propan-2-yl)indole-2-carboxamide;1-methyl-5-(4-methylpyrimidin-2-yl)-3-propan-2-ylindole;2-(1-methyl-3-propan-2-ylindol-5-yl)-5-phenyl-1,3,4-oxadiazole;1-methyl-3-propan-2-yl-5-(1H-1,2,4-triazol-5-yl)indole.

Molecular Properties

Compound Name5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-1-methyl-3-propan-2-ylindole;1,2-dimethyl-7-propan-2-ylindole-3-carboxylic acid;1,5-dimethyl-7-propan-2-ylindole-2-carboxylic acid;1-methyl-5,7-di(propan-2-yl)indole-2-carboxamide;1-methyl-5-(4-methylpyrimidin-2-yl)-3-propan-2-ylindole;2-(1-methyl-3-propan-2-ylindol-5-yl)-5-phenyl-1,3,4-oxadiazole;1-methyl-3-propan-2-yl-5-(1H-1,2,4-triazol-5-yl)indole
PubChem CID158106393
Molecular FormulaC113H131N17O6
Molecular Weight1823.40 g/mol
Exact Mass1822.05
IUPAC Name5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-1-methyl-3-propan-2-ylindole;1,2-dimethyl-7-propan-2-ylindole-3-carboxylic acid;1,5-dimethyl-7-propan-2-ylindole-2-carboxylic acid;1-methyl-5,7-di(propan-2-yl)indole-2-carboxamide;1-methyl-5-(4-methylpyrimidin-2-yl)-3-propan-2-ylindole;2-(1-methyl-3-propan-2-ylindol-5-yl)-5-phenyl-1,3,4-oxadiazole;1-methyl-3-propan-2-yl-5-(1H-1,2,4-triazol-5-yl)indole
SMILESCC(C)c1cc(C(C)C)c2c(c1)cc(C(N)=O)n2C.CC(C)c1cn(C)c2ccc(-c3cn4c(n3)CCC4)cc12.CC(C)c1cn(C)c2ccc(-c3ncn[nH]3)cc12.CC(C)c1cn(C)c2ccc(-c3nnc(-c4ccccc4)o3)cc12.Cc1c(C(=O)O)c2cccc(C(C)C)c2n1C.Cc1cc(C(C)C)c2c(c1)cc(C(=O)O)n2C.Cc1ccnc(-c2ccc3c(c2)c(C(C)C)cn3C)n1
InChIInChI=1S/C20H19N3O.C18H21N3.C17H19N3.C16H22N2O.C14H16N4.2C14H17NO2/c1-13(2)17-12-23(3)18-10-9-15(11-16(17)18)20-22-21-19(24-20)14-7-5-4-6-8-14;1-12(2)15-10-20(3)17-7-6-13(9-14(15)17)16-11-21-8-4-5-18(21)19-16;1-11(2)15-10-20(4)16-6-5-13(9-14(15)16)17-18-8-7-12(3)19-17;1-9(2)11-6-12-8-14(16(17)19)18(5)15(12)13(7-11)10(3)4;1-9(2)12-7-18(3)13-5-4-10(6-11(12)13)14-15-8-16-17-14;1-8(2)11-6-9(3)5-10-7-12(14(16)17)15(4)13(10)11;1-8(2)10-6-5-7-11-12(14(16)17)9(3)15(4)13(10)11/h4-13H,1-3H3;6-7,9-12H,4-5,8H2,1-3H3;5-11H,1-4H3;6-10H,1-5H3,(H2,17,19);4-9H,1-3H3,(H,15,16,17);2*5-8H,1-4H3,(H,16,17)
InChIKeyFPWUJOPQVKWPQN-UHFFFAOYSA-N
XLogP26.42
TPSA276.29 Ų
H-Bond Donors4
H-Bond Acceptors19
Rotatable Bonds16
Heavy Atoms136
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001823.40
LogP ≤ 526.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1019

Analyze 5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-1-methyl-3-propan-2-ylindole;1,2-dimethyl-7-propan-2-ylindole-3-carboxylic acid;1,5-dimethyl-7-propan-2-ylindole-2-carboxylic acid;1-methyl-5,7-di(propan-2-yl)indole-2-carboxamide;1-methyl-5-(4-methylpyrimidin-2-yl)-3-propan-2-ylindole;2-(1-methyl-3-propan-2-ylindol-5-yl)-5-phenyl-1,3,4-oxadiazole;1-methyl-3-propan-2-yl-5-(1H-1,2,4-triazol-5-yl)indole with MolForge

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Related Compounds

2-[9-(3,5-Diphenylphenyl)carbazol-1-yl]-5-[9-(3,5-diphenylphenyl)carbazol-4-yl]-1,3,4-oxadiazole;2-[9-(4,6-diphenyl-2-pyridinyl)carbazol-1-yl]-5-[9-(4,6-diphenyl-2-pyridinyl)carbazol-4-yl]-1,3,4-oxadiazole;2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-1-yl]-5-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-4-yl]-1,3,4-oxadiazole;2-[9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-1-yl]-5-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-1,3,4-oxadiazole;2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-1-yl]-1,3,4-oxadiazole;2-[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-1-yl]-5-[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-4-yl]-1,3,4-oxadiazole
CID 158078812
sodium;acetohydrazide;3-ethyl-4-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]benzoic acid;N-[2-ethyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine
CID 158681512
6-tert-butyl-1H-benzimidazole;7-tert-butyl-3,4-dihydro-1H-quinolin-2-one;6-tert-butyl-4-hydroxy-1H-quinolin-2-one;6-tert-butyl-1H-indazol-3-amine;6-tert-butyl-1H-indazole;5-tert-butyl-1H-indazole-3-carboxylic acid;5-tert-butyl-1H-indole;6-tert-butyl-1H-indole;5-tert-butyl-1H-indole-3-carboxamide;2-(5-tert-butyl-1H-indol-3-yl)acetic acid;6-tert-butyl-1H-quinolin-2-one;methyl 5-tert-butyl-1H-indazole-3-carboxylate
CID 159366755
2-[1-(3,5-dimethylpyrazol-1-yl)ethyl]-5-(2-methyl-1-phenylpropan-2-yl)-1,3,4-oxadiazole;2-[2-(2-ethylbenzimidazol-1-yl)ethyl]-5-(2-methyl-1-phenylpropan-2-yl)-1,3,4-oxadiazole;2-(indazol-1-ylmethyl)-5-(2-methyl-1-phenylpropan-2-yl)-1,3,4-oxadiazole;(2R)-2-[5-(5-methyl-1,3-diphenylpyrazol-4-yl)-1,3,4-oxadiazol-2-yl]-1-phenylpropan-2-amine;2-(2-methyl-1-phenylpropan-2-yl)-5-(3H-pyrazolo[1,5-a]pyrimidin-8-ium-6-ylmethyl)-1,3,4-oxadiazole
CID 159889671
1-[2-(Dimethylamino)ethyl]-3-propan-2-ylindole-5-carboxylic acid;5-ethyl-1-methyl-7-propan-2-ylindole-3-carboxylic acid;1-methyl-5-(1-methyl-1,2,4-triazol-3-yl)-3-propan-2-ylindole;bis(5-methyl-1-[(4-piperidin-1-yl-2-pyridinyl)methyl]-7-propan-2-ylindole-2-carboxylic acid);1-[1-[(5-methyl-2-pyridinyl)methyl]-7-propan-2-ylindol-3-yl]ethenol
CID 160397130
CID 160399994
CID 160399994
2-[9-(4,6-Diphenylpyrimidin-2-yl)carbazol-2-yl]-5-(9-phenylcarbazol-1-yl)-1,3,4-oxadiazole;2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-2-yl]-5-(9-phenylcarbazol-1-yl)-1,3,4-oxadiazole;2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-5-(9-phenylcarbazol-1-yl)-1,3,4-oxadiazole;2-(9-phenylcarbazol-1-yl)-5-(9-phenylcarbazol-3-yl)-1,3,4-oxadiazole;2-(9-phenylcarbazol-1-yl)-5-[9-(6-pyridin-3-yl-2-pyridinyl)carbazol-2-yl]-1,3,4-oxadiazole;2-(9-pyridin-3-ylcarbazol-1-yl)-5-(9-pyridin-3-ylcarbazol-3-yl)-1,3,4-oxadiazole
CID 160645648
2-[9-(4,6-Diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-5-(9-phenylcarbazol-1-yl)-1,3,4-oxadiazole;2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-5-(9-phenylcarbazol-1-yl)-1,3,4-oxadiazole;2-(9-phenylcarbazol-1-yl)-5-(9-phenylcarbazol-4-yl)-1,3,4-oxadiazole;2-(9-pyridin-3-ylcarbazol-1-yl)-5-(9-pyridin-3-ylcarbazol-4-yl)-1,3,4-oxadiazole
CID 161565873
(2R)-2-[5-[1-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3,4-oxadiazol-2-yl]-1-phenylpropan-2-amine;(2R)-2-[5-[2-(2-ethylbenzimidazol-1-yl)ethyl]-1,3,4-oxadiazol-2-yl]-1-phenylpropan-2-amine;(2R)-2-[5-(indazol-1-ylmethyl)-1,3,4-oxadiazol-2-yl]-1-phenylpropan-2-amine;(2R)-2-[5-(5-methyl-1,3-diphenylpyrazol-4-yl)-1,3,4-oxadiazol-2-yl]-1-phenylpropan-2-amine;(2R)-1-phenyl-2-[5-(1H-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium-6-ylmethyl)-1,3,4-oxadiazol-2-yl]propan-2-amine
CID 161623595

Frequently Asked Questions

What is the IUPAC name of 5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-1-methyl-3-propan-2-ylindole;1,2-dimethyl-7-propan-2-ylindole-3-carboxylic acid;1,5-dimethyl-7-propan-2-ylindole-2-carboxylic acid;1-methyl-5,7-di(propan-2-yl)indole-2-carboxamide;1-methyl-5-(4-methylpyrimidin-2-yl)-3-propan-2-ylindole;2-(1-methyl-3-propan-2-ylindol-5-yl)-5-phenyl-1,3,4-oxadiazole;1-methyl-3-propan-2-yl-5-(1H-1,2,4-triazol-5-yl)indole?
The IUPAC name of 5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-1-methyl-3-propan-2-ylindole;1,2-dimethyl-7-propan-2-ylindole-3-carboxylic acid;1,5-dimethyl-7-propan-2-ylindole-2-carboxylic acid;1-methyl-5,7-di(propan-2-yl)indole-2-carboxamide;1-methyl-5-(4-methylpyrimidin-2-yl)-3-propan-2-ylindole;2-(1-methyl-3-propan-2-ylindol-5-yl)-5-phenyl-1,3,4-oxadiazole;1-methyl-3-propan-2-yl-5-(1H-1,2,4-triazol-5-yl)indole (CID 158106393) is 5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-1-methyl-3-propan-2-ylindole;1,2-dimethyl-7-propan-2-ylindole-3-carboxylic acid;1,5-dimethyl-7-propan-2-ylindole-2-carboxylic acid;1-methyl-5,7-di(propan-2-yl)indole-2-carboxamide;1-methyl-5-(4-methylpyrimidin-2-yl)-3-propan-2-ylindole;2-(1-methyl-3-propan-2-ylindol-5-yl)-5-phenyl-1,3,4-oxadiazole;1-methyl-3-propan-2-yl-5-(1H-1,2,4-triazol-5-yl)indole.
What is the SMILES notation for 5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-1-methyl-3-propan-2-ylindole;1,2-dimethyl-7-propan-2-ylindole-3-carboxylic acid;1,5-dimethyl-7-propan-2-ylindole-2-carboxylic acid;1-methyl-5,7-di(propan-2-yl)indole-2-carboxamide;1-methyl-5-(4-methylpyrimidin-2-yl)-3-propan-2-ylindole;2-(1-methyl-3-propan-2-ylindol-5-yl)-5-phenyl-1,3,4-oxadiazole;1-methyl-3-propan-2-yl-5-(1H-1,2,4-triazol-5-yl)indole?
The canonical SMILES for 5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-1-methyl-3-propan-2-ylindole;1,2-dimethyl-7-propan-2-ylindole-3-carboxylic acid;1,5-dimethyl-7-propan-2-ylindole-2-carboxylic acid;1-methyl-5,7-di(propan-2-yl)indole-2-carboxamide;1-methyl-5-(4-methylpyrimidin-2-yl)-3-propan-2-ylindole;2-(1-methyl-3-propan-2-ylindol-5-yl)-5-phenyl-1,3,4-oxadiazole;1-methyl-3-propan-2-yl-5-(1H-1,2,4-triazol-5-yl)indole is CC(C)c1cc(C(C)C)c2c(c1)cc(C(N)=O)n2C.CC(C)c1cn(C)c2ccc(-c3cn4c(n3)CCC4)cc12.CC(C)c1cn(C)c2ccc(-c3ncn[nH]3)cc12.CC(C)c1cn(C)c2ccc(-c3nnc(-c4ccccc4)o3)cc12.Cc1c(C(=O)O)c2cccc(C(C)C)c2n1C.Cc1cc(C(C)C)c2c(c1)cc(C(=O)O)n2C.Cc1ccnc(-c2ccc3c(c2)c(C(C)C)cn3C)n1.
What is the InChIKey of 5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-1-methyl-3-propan-2-ylindole;1,2-dimethyl-7-propan-2-ylindole-3-carboxylic acid;1,5-dimethyl-7-propan-2-ylindole-2-carboxylic acid;1-methyl-5,7-di(propan-2-yl)indole-2-carboxamide;1-methyl-5-(4-methylpyrimidin-2-yl)-3-propan-2-ylindole;2-(1-methyl-3-propan-2-ylindol-5-yl)-5-phenyl-1,3,4-oxadiazole;1-methyl-3-propan-2-yl-5-(1H-1,2,4-triazol-5-yl)indole?
The InChIKey is FPWUJOPQVKWPQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O.C18H21N3.C17H19N3.C16H22N2O.C14H16N4.2C14H17NO2/c1-13(2)17-12-23(3)18-10-9-15(11-16(17)18)20-22-21-19(24-20)14-7-5-4-6-8-14;1-12(2)15-10-20(3)17-7-6-13(9-14(15)17)16-11-21-8-4-5-18(21)19-16;1-11(2)15-10-20(4)16-6-5-13(9-14(15)16)17-18-8-7-12(3)19-17;1-9(2)11-6-12-8-14(16(17)19)18(5)15(12)13(7-11)10(3)4;1-9(2)12-7-18(3)13-5-4-10(6-11(12)13)14-15-8-16-17-14;1-8(2)11-6-9(3)5-10-7-12(14(16)17)15(4)13(10)11;1-8(2)10-6-5-7-11-12(14(16)17)9(3)15(4)13(10)11/h4-13H,1-3H3;6-7,9-12H,4-5,8H2,1-3H3;5-11H,1-4H3;6-10H,1-5H3,(H2,17,19);4-9H,1-3H3,(H,15,16,17);2*5-8H,1-4H3,(H,16,17).
What are the key properties of 5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-1-methyl-3-propan-2-ylindole;1,2-dimethyl-7-propan-2-ylindole-3-carboxylic acid;1,5-dimethyl-7-propan-2-ylindole-2-carboxylic acid;1-methyl-5,7-di(propan-2-yl)indole-2-carboxamide;1-methyl-5-(4-methylpyrimidin-2-yl)-3-propan-2-ylindole;2-(1-methyl-3-propan-2-ylindol-5-yl)-5-phenyl-1,3,4-oxadiazole;1-methyl-3-propan-2-yl-5-(1H-1,2,4-triazol-5-yl)indole?
5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-1-methyl-3-propan-2-ylindole;1,2-dimethyl-7-propan-2-ylindole-3-carboxylic acid;1,5-dimethyl-7-propan-2-ylindole-2-carboxylic acid;1-methyl-5,7-di(propan-2-yl)indole-2-carboxamide;1-methyl-5-(4-methylpyrimidin-2-yl)-3-propan-2-ylindole;2-(1-methyl-3-propan-2-ylindol-5-yl)-5-phenyl-1,3,4-oxadiazole;1-methyl-3-propan-2-yl-5-(1H-1,2,4-triazol-5-yl)indole has a molecular weight of 1823.40 g/mol, XLogP of 26.42, 16 rotatable bonds, 4 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-1-methyl-3-propan-2-ylindole;1,2-dimethyl-7-propan-2-ylindole-3-carboxylic acid;1,5-dimethyl-7-propan-2-ylindole-2-carboxylic acid;1-methyl-5,7-di(propan-2-yl)indole-2-carboxamide;1-methyl-5-(4-methylpyrimidin-2-yl)-3-propan-2-ylindole;2-(1-methyl-3-propan-2-ylindol-5-yl)-5-phenyl-1,3,4-oxadiazole;1-methyl-3-propan-2-yl-5-(1H-1,2,4-triazol-5-yl)indole is sourced from PubChem (CID 158106393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).