2,4-dimethyl-5-propan-2-yl-1,3-thiazole;1-methyl-3-propan-2-ylindole;2-methyl-3-propan-2-yl-1H-indole;3-propan-2-yl-2H-indazole;3-propan-2-yl-1H-indole;3-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-ylpyridine

C71H91N9S — CID 161179765

IUPAC2,4-dimethyl-5-propan-2-yl-1,3-thiazole;1-methyl-3-propan-2-ylindole;2-methyl-3-propan-2-yl-1H-indole;3-propan-2-yl-2H-indazole;3-propan-2-yl-1H-indole;3-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-ylpyridine
SMILESCC(C)c1[nH]nc2ccccc12.CC(C)c1c[nH]c2ccccc12.CC(C)c1cccnc1.CC(C)c1cn(C)c2ccccc12.CC(C)c1cnn2ccccc12.Cc1[nH]c2ccccc2c1C(C)C.Cc1nc(C)c(C(C)C)s1
InChIInChI=1S/2C12H15N.C11H13N.2C10H12N2.C8H13NS.C8H11N/c1-9(2)11-8-13(3)12-7-5-4-6-10(11)12;1-8(2)12-9(3)13-11-7-5-4-6-10(11)12;1-8(2)10-7-12-11-6-4-3-5-9(10)11;1-8(2)9-7-11-12-6-4-3-5-10(9)12;1-7(2)10-8-5-3-4-6-9(8)11-12-10;1-5(2)8-6(3)9-7(4)10-8;1-7(2)8-4-3-5-9-6-8/h4-9H,1-3H3;4-8,13H,1-3H3;3-8,12H,1-2H3;3-8H,1-2H3;3-7H,1-2H3,(H,11,12);5H,1-4H3;3-7H,1-2H3
InChIKeyUSHFBELEAUUWRY-UHFFFAOYSA-N
MW1102.64 g/mol
LogP20.43
Rot. Bonds7

About 2,4-dimethyl-5-propan-2-yl-1,3-thiazole;1-methyl-3-propan-2-ylindole;2-methyl-3-propan-2-yl-1H-indole;3-propan-2-yl-2H-indazole;3-propan-2-yl-1H-indole;3-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-ylpyridine

2,4-dimethyl-5-propan-2-yl-1,3-thiazole;1-methyl-3-propan-2-ylindole;2-methyl-3-propan-2-yl-1H-indole;3-propan-2-yl-2H-indazole;3-propan-2-yl-1H-indole;3-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-ylpyridine (PubChem CID 161179765) has the molecular formula C71H91N9S and a molecular weight of 1102.64 g/mol. Its IUPAC name is 2,4-dimethyl-5-propan-2-yl-1,3-thiazole;1-methyl-3-propan-2-ylindole;2-methyl-3-propan-2-yl-1H-indole;3-propan-2-yl-2H-indazole;3-propan-2-yl-1H-indole;3-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-ylpyridine.

Molecular Properties

Compound Name2,4-dimethyl-5-propan-2-yl-1,3-thiazole;1-methyl-3-propan-2-ylindole;2-methyl-3-propan-2-yl-1H-indole;3-propan-2-yl-2H-indazole;3-propan-2-yl-1H-indole;3-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-ylpyridine
PubChem CID161179765
Molecular FormulaC71H91N9S
Molecular Weight1102.64 g/mol
Exact Mass1101.71
IUPAC Name2,4-dimethyl-5-propan-2-yl-1,3-thiazole;1-methyl-3-propan-2-ylindole;2-methyl-3-propan-2-yl-1H-indole;3-propan-2-yl-2H-indazole;3-propan-2-yl-1H-indole;3-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-ylpyridine
SMILESCC(C)c1[nH]nc2ccccc12.CC(C)c1c[nH]c2ccccc12.CC(C)c1cccnc1.CC(C)c1cn(C)c2ccccc12.CC(C)c1cnn2ccccc12.Cc1[nH]c2ccccc2c1C(C)C.Cc1nc(C)c(C(C)C)s1
InChIInChI=1S/2C12H15N.C11H13N.2C10H12N2.C8H13NS.C8H11N/c1-9(2)11-8-13(3)12-7-5-4-6-10(11)12;1-8(2)12-9(3)13-11-7-5-4-6-10(11)12;1-8(2)10-7-12-11-6-4-3-5-9(10)11;1-8(2)9-7-11-12-6-4-3-5-10(9)12;1-7(2)10-8-5-3-4-6-9(8)11-12-10;1-5(2)8-6(3)9-7(4)10-8;1-7(2)8-4-3-5-9-6-8/h4-9H,1-3H3;4-8,13H,1-3H3;3-8,12H,1-2H3;3-8H,1-2H3;3-7H,1-2H3,(H,11,12);5H,1-4H3;3-7H,1-2H3
InChIKeyUSHFBELEAUUWRY-UHFFFAOYSA-N
XLogP20.43
TPSA108.27 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms81
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001102.64
LogP ≤ 520.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze 2,4-dimethyl-5-propan-2-yl-1,3-thiazole;1-methyl-3-propan-2-ylindole;2-methyl-3-propan-2-yl-1H-indole;3-propan-2-yl-2H-indazole;3-propan-2-yl-1H-indole;3-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-ylpyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-5-propan-2-yl-1,3-thiazole;1-methyl-3-propan-2-ylindole;2-methyl-3-propan-2-yl-1H-indole;3-propan-2-yl-2H-indazole;3-propan-2-yl-1H-indole;3-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-ylpyridine?
The IUPAC name of 2,4-dimethyl-5-propan-2-yl-1,3-thiazole;1-methyl-3-propan-2-ylindole;2-methyl-3-propan-2-yl-1H-indole;3-propan-2-yl-2H-indazole;3-propan-2-yl-1H-indole;3-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-ylpyridine (CID 161179765) is 2,4-dimethyl-5-propan-2-yl-1,3-thiazole;1-methyl-3-propan-2-ylindole;2-methyl-3-propan-2-yl-1H-indole;3-propan-2-yl-2H-indazole;3-propan-2-yl-1H-indole;3-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-ylpyridine.
What is the SMILES notation for 2,4-dimethyl-5-propan-2-yl-1,3-thiazole;1-methyl-3-propan-2-ylindole;2-methyl-3-propan-2-yl-1H-indole;3-propan-2-yl-2H-indazole;3-propan-2-yl-1H-indole;3-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-ylpyridine?
The canonical SMILES for 2,4-dimethyl-5-propan-2-yl-1,3-thiazole;1-methyl-3-propan-2-ylindole;2-methyl-3-propan-2-yl-1H-indole;3-propan-2-yl-2H-indazole;3-propan-2-yl-1H-indole;3-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-ylpyridine is CC(C)c1[nH]nc2ccccc12.CC(C)c1c[nH]c2ccccc12.CC(C)c1cccnc1.CC(C)c1cn(C)c2ccccc12.CC(C)c1cnn2ccccc12.Cc1[nH]c2ccccc2c1C(C)C.Cc1nc(C)c(C(C)C)s1.
What is the InChIKey of 2,4-dimethyl-5-propan-2-yl-1,3-thiazole;1-methyl-3-propan-2-ylindole;2-methyl-3-propan-2-yl-1H-indole;3-propan-2-yl-2H-indazole;3-propan-2-yl-1H-indole;3-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-ylpyridine?
The InChIKey is USHFBELEAUUWRY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H15N.C11H13N.2C10H12N2.C8H13NS.C8H11N/c1-9(2)11-8-13(3)12-7-5-4-6-10(11)12;1-8(2)12-9(3)13-11-7-5-4-6-10(11)12;1-8(2)10-7-12-11-6-4-3-5-9(10)11;1-8(2)9-7-11-12-6-4-3-5-10(9)12;1-7(2)10-8-5-3-4-6-9(8)11-12-10;1-5(2)8-6(3)9-7(4)10-8;1-7(2)8-4-3-5-9-6-8/h4-9H,1-3H3;4-8,13H,1-3H3;3-8,12H,1-2H3;3-8H,1-2H3;3-7H,1-2H3,(H,11,12);5H,1-4H3;3-7H,1-2H3.
What are the key properties of 2,4-dimethyl-5-propan-2-yl-1,3-thiazole;1-methyl-3-propan-2-ylindole;2-methyl-3-propan-2-yl-1H-indole;3-propan-2-yl-2H-indazole;3-propan-2-yl-1H-indole;3-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-ylpyridine?
2,4-dimethyl-5-propan-2-yl-1,3-thiazole;1-methyl-3-propan-2-ylindole;2-methyl-3-propan-2-yl-1H-indole;3-propan-2-yl-2H-indazole;3-propan-2-yl-1H-indole;3-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-ylpyridine has a molecular weight of 1102.64 g/mol, XLogP of 20.43, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-5-propan-2-yl-1,3-thiazole;1-methyl-3-propan-2-ylindole;2-methyl-3-propan-2-yl-1H-indole;3-propan-2-yl-2H-indazole;3-propan-2-yl-1H-indole;3-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-ylpyridine is sourced from PubChem (CID 161179765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).