5-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-1,3-dihydrobenzimidazol-2-one;5-propan-2-yl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one;5-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indole;5-propan-2-ylisoindole-1,3-dione;6-propan-2-yl-1H-pyrrolo[2,3-b]pyridine

C72H84N10O6 — CID 159885482

IUPAC5-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-1,3-dihydrobenzimidazol-2-one;5-propan-2-yl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one;5-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indole;5-propan-2-ylisoindole-1,3-dione;6-propan-2-yl-1H-pyrrolo[2,3-b]pyridine
SMILESCC(C)c1ccc2[nH]c(=O)[nH]c2c1.CC(C)c1ccc2[nH]ccc2c1.CC(C)c1ccc2[nH]ncc2c1.CC(C)c1ccc2c(c1)C(=O)NC2=O.CC(C)c1ccc2c(c1)OCO2.CC(C)c1ccc2cc[nH]c2n1.CC(C)c1cnc2c(c1)CC(=O)N2
InChIInChI=1S/C11H11NO2.C11H13N.2C10H12N2O.2C10H12N2.C10H12O2/c1-6(2)7-3-4-8-9(5-7)11(14)12-10(8)13;1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-6(2)8-3-7-4-9(13)12-10(7)11-5-8;1-6(2)7-3-4-8-9(5-7)12-10(13)11-8;1-7(2)8-3-4-10-9(5-8)6-11-12-10;1-7(2)9-4-3-8-5-6-11-10(8)12-9;1-7(2)8-3-4-9-10(5-8)12-6-11-9/h3-6H,1-2H3,(H,12,13,14);3-8,12H,1-2H3;3,5-6H,4H2,1-2H3,(H,11,12,13);3-6H,1-2H3,(H2,11,12,13);2*3-7H,1-2H3,(H,11,12);3-5,7H,6H2,1-2H3
InChIKeyNUBTVJZMBWCHRR-UHFFFAOYSA-N
MW1185.53 g/mol
LogP16.58
Rot. Bonds7

About 5-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-1,3-dihydrobenzimidazol-2-one;5-propan-2-yl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one;5-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indole;5-propan-2-ylisoindole-1,3-dione;6-propan-2-yl-1H-pyrrolo[2,3-b]pyridine

5-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-1,3-dihydrobenzimidazol-2-one;5-propan-2-yl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one;5-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indole;5-propan-2-ylisoindole-1,3-dione;6-propan-2-yl-1H-pyrrolo[2,3-b]pyridine (PubChem CID 159885482) has the molecular formula C72H84N10O6 and a molecular weight of 1185.53 g/mol. Its IUPAC name is 5-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-1,3-dihydrobenzimidazol-2-one;5-propan-2-yl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one;5-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indole;5-propan-2-ylisoindole-1,3-dione;6-propan-2-yl-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name5-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-1,3-dihydrobenzimidazol-2-one;5-propan-2-yl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one;5-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indole;5-propan-2-ylisoindole-1,3-dione;6-propan-2-yl-1H-pyrrolo[2,3-b]pyridine
PubChem CID159885482
Molecular FormulaC72H84N10O6
Molecular Weight1185.53 g/mol
Exact Mass1184.66
IUPAC Name5-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-1,3-dihydrobenzimidazol-2-one;5-propan-2-yl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one;5-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indole;5-propan-2-ylisoindole-1,3-dione;6-propan-2-yl-1H-pyrrolo[2,3-b]pyridine
SMILESCC(C)c1ccc2[nH]c(=O)[nH]c2c1.CC(C)c1ccc2[nH]ccc2c1.CC(C)c1ccc2[nH]ncc2c1.CC(C)c1ccc2c(c1)C(=O)NC2=O.CC(C)c1ccc2c(c1)OCO2.CC(C)c1ccc2cc[nH]c2n1.CC(C)c1cnc2c(c1)CC(=O)N2
InChIInChI=1S/C11H11NO2.C11H13N.2C10H12N2O.2C10H12N2.C10H12O2/c1-6(2)7-3-4-8-9(5-7)11(14)12-10(8)13;1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-6(2)8-3-7-4-9(13)12-10(7)11-5-8;1-6(2)7-3-4-8-9(5-7)12-10(13)11-8;1-7(2)8-3-4-10-9(5-8)6-11-12-10;1-7(2)9-4-3-8-5-6-11-10(8)12-9;1-7(2)8-3-4-9-10(5-8)12-6-11-9/h3-6H,1-2H3,(H,12,13,14);3-8,12H,1-2H3;3,5-6H,4H2,1-2H3,(H,11,12,13);3-6H,1-2H3,(H2,11,12,13);2*3-7H,1-2H3,(H,11,12);3-5,7H,6H2,1-2H3
InChIKeyNUBTVJZMBWCHRR-UHFFFAOYSA-N
XLogP16.58
TPSA228.42 Ų
H-Bond Donors7
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms88
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001185.53
LogP ≤ 516.58
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

5,7-dimethyl-1H-indole;6-methyl-1H-benzimidazole;5-methyl-1,3-benzodioxole;5-methyl-2H-benzotriazole;5-methyl-1,3-dihydroindol-2-one;6-methylquinoline;6-methyl-1,2,3,4-tetrahydroquinoline;5-methyl-3-(trifluoromethyl)-2H-indazole
CID 160697140
N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,2-difluoro-1,3-benzodioxole-4-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,3-dihydro-1-benzofuran-7-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methoxynaphthalene-1-carboxamide;2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-1H-benzimidazole-4-carboxylic acid;2,6-difluoro-N-[5-(3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-[6-(4-propan-2-ylpiperazine-1-carbonyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide
CID 160851026
N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,2-difluoro-1,3-benzodioxole-4-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,3-dihydro-1-benzofuran-7-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methoxynaphthalene-1-carboxamide;2,6-difluoro-N-[5-(3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-[6-(4-propan-2-ylpiperazine-1-carbonyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide
CID 160869634
N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,2-difluoro-1,3-benzodioxole-4-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,3-dihydro-1-benzofuran-7-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methoxynaphthalene-1-carboxamide;2,6-difluoro-N-[5-(3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazol-4-yl]benzamide
CID 160958852
(5R)-5-[2-(2H-benzotriazol-5-yl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-(1H-indazol-5-yl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(3-methylbenzotriazol-5-yl)ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]ethynyl]imidazolidine-2,4-dione
CID 162075177
4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-1-methylindazole-6-carboxamide;[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methylindazol-6-yl]-[3-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone;6-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]-1H-benzimidazole-4-carboxamide;7-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]-3H-benzimidazole-5-carboxamide;4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]-1H-indazole-6-carboxamide
CID 164986662
2-(1H-benzimidazol-2-yl)-5-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-[2-(4-fluorophenyl)ethyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(3-methylpyrazol-1-yl)ethyl]-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one;4-[2-(4-fluorophenyl)ethyl]-2-(1H-imidazo[4,5-b]pyridin-2-yl)-5-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrazol-3-one;2-(1H-imidazo[4,5-b]pyridin-2-yl)-4-[2-(3-methylpyrazol-1-yl)ethyl]-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one
CID 167700729
[6-(1,3-benzodioxol-5-yl)-2-(1H-indazol-6-ylamino)quinolin-4-yl]-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 59727578
1-(cyclopropylmethyl)-N-[3-[1-[4-[1-(cyclopropylmethyl)-3-[2-(dimethylamino)ethyl-[(3-methoxyphenyl)methyl]carbamoyl]-2H-indazol-1-ium-6-yl]pyrazol-1-yl]propan-2-ylcarbamoyl]phenyl]-6-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)indazole-3-carboxamide
CID 123179112
6-[1-[2-[[3-[[1-(cyclopropylmethyl)-6-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)indazole-3-carbonyl]amino]benzoyl]amino]propyl]pyrazol-4-yl]-N-[(3-methoxyphenyl)methyl]-1-propylindazole-3-carboxamide
CID 123335927
N-[5-[3-[7-(1,3-benzodioxol-5-yl)-3H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]benzamide
CID 137042513
N-[5-[3-[4-(1,3-benzodioxol-5-yl)-1H-benzimidazol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]cyclohexanecarboxamide
CID 137109532

Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-1,3-dihydrobenzimidazol-2-one;5-propan-2-yl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one;5-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indole;5-propan-2-ylisoindole-1,3-dione;6-propan-2-yl-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 5-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-1,3-dihydrobenzimidazol-2-one;5-propan-2-yl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one;5-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indole;5-propan-2-ylisoindole-1,3-dione;6-propan-2-yl-1H-pyrrolo[2,3-b]pyridine (CID 159885482) is 5-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-1,3-dihydrobenzimidazol-2-one;5-propan-2-yl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one;5-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indole;5-propan-2-ylisoindole-1,3-dione;6-propan-2-yl-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 5-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-1,3-dihydrobenzimidazol-2-one;5-propan-2-yl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one;5-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indole;5-propan-2-ylisoindole-1,3-dione;6-propan-2-yl-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 5-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-1,3-dihydrobenzimidazol-2-one;5-propan-2-yl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one;5-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indole;5-propan-2-ylisoindole-1,3-dione;6-propan-2-yl-1H-pyrrolo[2,3-b]pyridine is CC(C)c1ccc2[nH]c(=O)[nH]c2c1.CC(C)c1ccc2[nH]ccc2c1.CC(C)c1ccc2[nH]ncc2c1.CC(C)c1ccc2c(c1)C(=O)NC2=O.CC(C)c1ccc2c(c1)OCO2.CC(C)c1ccc2cc[nH]c2n1.CC(C)c1cnc2c(c1)CC(=O)N2.
What is the InChIKey of 5-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-1,3-dihydrobenzimidazol-2-one;5-propan-2-yl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one;5-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indole;5-propan-2-ylisoindole-1,3-dione;6-propan-2-yl-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is NUBTVJZMBWCHRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2.C11H13N.2C10H12N2O.2C10H12N2.C10H12O2/c1-6(2)7-3-4-8-9(5-7)11(14)12-10(8)13;1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-6(2)8-3-7-4-9(13)12-10(7)11-5-8;1-6(2)7-3-4-8-9(5-7)12-10(13)11-8;1-7(2)8-3-4-10-9(5-8)6-11-12-10;1-7(2)9-4-3-8-5-6-11-10(8)12-9;1-7(2)8-3-4-9-10(5-8)12-6-11-9/h3-6H,1-2H3,(H,12,13,14);3-8,12H,1-2H3;3,5-6H,4H2,1-2H3,(H,11,12,13);3-6H,1-2H3,(H2,11,12,13);2*3-7H,1-2H3,(H,11,12);3-5,7H,6H2,1-2H3.
What are the key properties of 5-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-1,3-dihydrobenzimidazol-2-one;5-propan-2-yl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one;5-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indole;5-propan-2-ylisoindole-1,3-dione;6-propan-2-yl-1H-pyrrolo[2,3-b]pyridine?
5-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-1,3-dihydrobenzimidazol-2-one;5-propan-2-yl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one;5-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indole;5-propan-2-ylisoindole-1,3-dione;6-propan-2-yl-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 1185.53 g/mol, XLogP of 16.58, 7 rotatable bonds, 7 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-1,3-dihydrobenzimidazol-2-one;5-propan-2-yl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one;5-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indole;5-propan-2-ylisoindole-1,3-dione;6-propan-2-yl-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 159885482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).