5-propan-2-yl-1,3-benzodioxole;2-propan-2-yl-1,5-naphthyridine;4-propan-2-ylpyridine;4-propan-2-ylquinoline;6-propan-2-ylquinoline;6-propan-2-ylquinoxaline;6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine

C73H84N10O2 — CID 158389167

IUPAC5-propan-2-yl-1,3-benzodioxole;2-propan-2-yl-1,5-naphthyridine;4-propan-2-ylpyridine;4-propan-2-ylquinoline;6-propan-2-ylquinoline;6-propan-2-ylquinoxaline;6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine
SMILESCC(C)c1ccc2c(c1)OCO2.CC(C)c1ccc2ncccc2c1.CC(C)c1ccc2ncccc2n1.CC(C)c1ccc2nccnc2c1.CC(C)c1ccc2ncnn2c1.CC(C)c1ccnc2ccccc12.CC(C)c1ccncc1
InChIInChI=1S/2C12H13N.2C11H12N2.C10H12O2.C9H11N3.C8H11N/c1-9(2)10-5-6-12-11(8-10)4-3-7-13-12;1-9(2)10-7-8-13-12-6-4-3-5-11(10)12;1-8(2)9-3-4-10-11(7-9)13-6-5-12-10;1-8(2)9-5-6-10-11(13-9)4-3-7-12-10;1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-7(2)8-3-4-9-10-6-11-12(9)5-8;1-7(2)8-3-5-9-6-4-8/h2*3-9H,1-2H3;2*3-8H,1-2H3;3-5,7H,6H2,1-2H3;3-7H,1-2H3;3-7H,1-2H3
InChIKeyGWSSOGIPOSPRKF-UHFFFAOYSA-N
MW1133.54 g/mol
LogP18.82
Rot. Bonds7

About 5-propan-2-yl-1,3-benzodioxole;2-propan-2-yl-1,5-naphthyridine;4-propan-2-ylpyridine;4-propan-2-ylquinoline;6-propan-2-ylquinoline;6-propan-2-ylquinoxaline;6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine

5-propan-2-yl-1,3-benzodioxole;2-propan-2-yl-1,5-naphthyridine;4-propan-2-ylpyridine;4-propan-2-ylquinoline;6-propan-2-ylquinoline;6-propan-2-ylquinoxaline;6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 158389167) has the molecular formula C73H84N10O2 and a molecular weight of 1133.54 g/mol. Its IUPAC name is 5-propan-2-yl-1,3-benzodioxole;2-propan-2-yl-1,5-naphthyridine;4-propan-2-ylpyridine;4-propan-2-ylquinoline;6-propan-2-ylquinoline;6-propan-2-ylquinoxaline;6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name5-propan-2-yl-1,3-benzodioxole;2-propan-2-yl-1,5-naphthyridine;4-propan-2-ylpyridine;4-propan-2-ylquinoline;6-propan-2-ylquinoline;6-propan-2-ylquinoxaline;6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID158389167
Molecular FormulaC73H84N10O2
Molecular Weight1133.54 g/mol
Exact Mass1132.68
IUPAC Name5-propan-2-yl-1,3-benzodioxole;2-propan-2-yl-1,5-naphthyridine;4-propan-2-ylpyridine;4-propan-2-ylquinoline;6-propan-2-ylquinoline;6-propan-2-ylquinoxaline;6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine
SMILESCC(C)c1ccc2c(c1)OCO2.CC(C)c1ccc2ncccc2c1.CC(C)c1ccc2ncccc2n1.CC(C)c1ccc2nccnc2c1.CC(C)c1ccc2ncnn2c1.CC(C)c1ccnc2ccccc12.CC(C)c1ccncc1
InChIInChI=1S/2C12H13N.2C11H12N2.C10H12O2.C9H11N3.C8H11N/c1-9(2)10-5-6-12-11(8-10)4-3-7-13-12;1-9(2)10-7-8-13-12-6-4-3-5-11(10)12;1-8(2)9-3-4-10-11(7-9)13-6-5-12-10;1-8(2)9-5-6-10-11(13-9)4-3-7-12-10;1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-7(2)8-3-4-9-10-6-11-12(9)5-8;1-7(2)8-3-5-9-6-4-8/h2*3-9H,1-2H3;2*3-8H,1-2H3;3-5,7H,6H2,1-2H3;3-7H,1-2H3;3-7H,1-2H3
InChIKeyGWSSOGIPOSPRKF-UHFFFAOYSA-N
XLogP18.82
TPSA138.88 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds7
Heavy Atoms85
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001133.54
LogP ≤ 518.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 5-propan-2-yl-1,3-benzodioxole;2-propan-2-yl-1,5-naphthyridine;4-propan-2-ylpyridine;4-propan-2-ylquinoline;6-propan-2-ylquinoline;6-propan-2-ylquinoxaline;6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[(1S)-1-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]quinoline
CID 73293901
2-(1,3-Benzodioxol-5-yl)-6-(4-methylpiperazin-1-yl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine
CID 127034933
6-[2-(5,8-Dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)-ethyl]-1,3-dioxolo[4,5-g]quinoline
CID 71617343
8-[6-[4-(4-Methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-[1,3]dioxolo[4,5-g]quinoline
CID 142464281
6,7-Dimethoxy-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
CID 142464352
6-[[6-(1,3-Benzodioxol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline
CID 177380747
2,2-difluoro-4,7-di(propan-2-yl)-1,3-benzodioxole;3,3-difluoro-4,7-di(propan-2-yl)-2H-1-benzofuran;2,5-di(propan-2-yl)pyrazine;3,6-di(propan-2-yl)pyridazine;3,6-di(propan-2-yl)-1,2,4-triazine;methane;1-methyl-4,7-di(propan-2-yl)benzimidazole;1-methyl-4,7-di(propan-2-yl)benzotriazole
CID 158994053
2,2-difluoro-4,7-di(propan-2-yl)-1,3-benzodioxole;3,3-difluoro-4,7-di(propan-2-yl)-2H-1-benzofuran;2,5-di(propan-2-yl)pyrazine;3,6-di(propan-2-yl)pyridazine;3,6-di(propan-2-yl)-1,2,4-triazine;3-methoxy-2,5-di(propan-2-yl)pyrazine;4-methoxy-3,6-di(propan-2-yl)pyridazine;1-methyl-4,7-di(propan-2-yl)benzotriazole
CID 159704883
2,2-difluoro-4,7-di(propan-2-yl)-1,3-benzodioxole;3,3-difluoro-4,7-di(propan-2-yl)-2H-1-benzofuran;2,5-di(propan-2-yl)pyrazine;3,6-di(propan-2-yl)pyridazine;3,6-di(propan-2-yl)-1,2,4-triazine;3-methoxy-2,5-di(propan-2-yl)pyrazine;1-methyl-4,7-di(propan-2-yl)benzotriazole
CID 159809387
2,2-difluoro-4,7-di(propan-2-yl)-1,3-benzodioxole;3,3-difluoro-4,7-di(propan-2-yl)-2H-1-benzofuran;2,5-di(propan-2-yl)pyrazine;3,6-di(propan-2-yl)pyridazine;3,6-di(propan-2-yl)-1,2,4-triazine;1-methyl-4,7-di(propan-2-yl)benzimidazole;1-methyl-4,7-di(propan-2-yl)benzotriazole
CID 161443939
6-[[5-[3-(Difluoromethoxy)phenyl]triazolo[4,5-b]pyridin-3-yl]methyl]quinoline;3-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]phenol
CID 161532648
2,4-dimethyl-5-propan-2-ylpyrimidine;2-ethyl-4-methyl-6-propan-2-ylpyrimidine;2-fluoro-2-methyl-5-propan-2-yl-1,3-benzodioxole;5-fluoro-4-propan-2-ylquinazoline;6-fluoro-4-propan-2-ylquinazoline;7-fluoro-4-propan-2-ylquinazoline;8-fluoro-4-propan-2-ylquinazoline;6-fluoro-2-propan-2-ylquinoxaline;methane;3-methyl-5-(oxan-4-yl)-2-propan-2-ylpyrazine;1-methyl-6-propan-2-ylpyrazolo[3,4-b]pyrazine;2-methyl-4-propan-2-ylquinazoline;1-propan-2-ylisoquinoline;4-propan-2-ylisoquinoline;8-propan-2-yl-1,7-naphthyridine;6-propan-2-yl-1H-pyrazolo[3,4-b]pyrazine;8-propan-2-ylpyrido[2,3-b]pyrazine;8-propan-2-ylpyrido[3,4-b]pyrazine;4-propan-2-ylquinoline;1-propan-2-yl-4-(trifluoromethoxy)benzene;4-propan-2-yl-8-(trifluoromethyl)quinazoline
CID 161798511

Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-1,3-benzodioxole;2-propan-2-yl-1,5-naphthyridine;4-propan-2-ylpyridine;4-propan-2-ylquinoline;6-propan-2-ylquinoline;6-propan-2-ylquinoxaline;6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 5-propan-2-yl-1,3-benzodioxole;2-propan-2-yl-1,5-naphthyridine;4-propan-2-ylpyridine;4-propan-2-ylquinoline;6-propan-2-ylquinoline;6-propan-2-ylquinoxaline;6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine (CID 158389167) is 5-propan-2-yl-1,3-benzodioxole;2-propan-2-yl-1,5-naphthyridine;4-propan-2-ylpyridine;4-propan-2-ylquinoline;6-propan-2-ylquinoline;6-propan-2-ylquinoxaline;6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 5-propan-2-yl-1,3-benzodioxole;2-propan-2-yl-1,5-naphthyridine;4-propan-2-ylpyridine;4-propan-2-ylquinoline;6-propan-2-ylquinoline;6-propan-2-ylquinoxaline;6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 5-propan-2-yl-1,3-benzodioxole;2-propan-2-yl-1,5-naphthyridine;4-propan-2-ylpyridine;4-propan-2-ylquinoline;6-propan-2-ylquinoline;6-propan-2-ylquinoxaline;6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine is CC(C)c1ccc2c(c1)OCO2.CC(C)c1ccc2ncccc2c1.CC(C)c1ccc2ncccc2n1.CC(C)c1ccc2nccnc2c1.CC(C)c1ccc2ncnn2c1.CC(C)c1ccnc2ccccc12.CC(C)c1ccncc1.
What is the InChIKey of 5-propan-2-yl-1,3-benzodioxole;2-propan-2-yl-1,5-naphthyridine;4-propan-2-ylpyridine;4-propan-2-ylquinoline;6-propan-2-ylquinoline;6-propan-2-ylquinoxaline;6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is GWSSOGIPOSPRKF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H13N.2C11H12N2.C10H12O2.C9H11N3.C8H11N/c1-9(2)10-5-6-12-11(8-10)4-3-7-13-12;1-9(2)10-7-8-13-12-6-4-3-5-11(10)12;1-8(2)9-3-4-10-11(7-9)13-6-5-12-10;1-8(2)9-5-6-10-11(13-9)4-3-7-12-10;1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-7(2)8-3-4-9-10-6-11-12(9)5-8;1-7(2)8-3-5-9-6-4-8/h2*3-9H,1-2H3;2*3-8H,1-2H3;3-5,7H,6H2,1-2H3;3-7H,1-2H3;3-7H,1-2H3.
What are the key properties of 5-propan-2-yl-1,3-benzodioxole;2-propan-2-yl-1,5-naphthyridine;4-propan-2-ylpyridine;4-propan-2-ylquinoline;6-propan-2-ylquinoline;6-propan-2-ylquinoxaline;6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine?
5-propan-2-yl-1,3-benzodioxole;2-propan-2-yl-1,5-naphthyridine;4-propan-2-ylpyridine;4-propan-2-ylquinoline;6-propan-2-ylquinoline;6-propan-2-ylquinoxaline;6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 1133.54 g/mol, XLogP of 18.82, 7 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-1,3-benzodioxole;2-propan-2-yl-1,5-naphthyridine;4-propan-2-ylpyridine;4-propan-2-ylquinoline;6-propan-2-ylquinoline;6-propan-2-ylquinoxaline;6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 158389167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).