3-tert-butyl-2H-indazole;5-tert-butyl-1H-indazole;2-tert-butyl-3H-indole;6-tert-butyl-1H-indole;2-tert-butyl-5-methoxy-1H-indene;6-fluoro-2-propan-2-yl-1H-indene;3-(furan-2-yl)-5-propan-2-ylpyridine;5-methoxy-2-propan-2-yl-3H-indole;1-methyl-2-propan-2-ylbenzimidazole;4-propan-2-yl-1H-indazole;2-propan-2-yl-1H-indene;3-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-isoindole;3-propan-2-yl-5-pyridin-4-ylpyridine

C175H210FN17O3 — CID 158556155

IUPAC3-tert-butyl-2H-indazole;5-tert-butyl-1H-indazole;2-tert-butyl-3H-indole;6-tert-butyl-1H-indole;2-tert-butyl-5-methoxy-1H-indene;6-fluoro-2-propan-2-yl-1H-indene;3-(furan-2-yl)-5-propan-2-ylpyridine;5-methoxy-2-propan-2-yl-3H-indole;1-methyl-2-propan-2-ylbenzimidazole;4-propan-2-yl-1H-indazole;2-propan-2-yl-1H-indene;3-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-isoindole;3-propan-2-yl-5-pyridin-4-ylpyridine
SMILESCC(C)(C)C1=Nc2ccccc2C1.CC(C)(C)c1[nH]nc2ccccc12.CC(C)(C)c1ccc2[nH]ncc2c1.CC(C)(C)c1ccc2cc[nH]c2c1.CC(C)C1=Cc2ccc(F)cc2C1.CC(C)C1=Cc2ccccc2C1.CC(C)c1c[nH]c2ccccc12.CC(C)c1ccc2[nH]ccc2c1.CC(C)c1ccc2c(c1)CN=C2.CC(C)c1cccc2[nH]ncc12.CC(C)c1cncc(-c2ccco2)c1.CC(C)c1cncc(-c2ccncc2)c1.CC(C)c1nc2ccccc2n1C.COc1ccc2c(c1)C=C(C(C)(C)C)C2.COc1ccc2c(c1)CC(C(C)C)=N2
InChIInChI=1S/C14H18O.C13H14N2.C12H13F.C12H15NO.C12H13NO.2C12H15N.C12H14.3C11H14N2.3C11H13N.C10H12N2/c1-14(2,3)12-7-10-5-6-13(15-4)9-11(10)8-12;1-10(2)12-7-13(9-15-8-12)11-3-5-14-6-4-11;1-8(2)10-5-9-3-4-12(13)7-11(9)6-10;1-8(2)12-7-9-6-10(14-3)4-5-11(9)13-12;1-9(2)10-6-11(8-13-7-10)12-4-3-5-14-12;1-12(2,3)10-5-4-9-6-7-13-11(9)8-10;1-12(2,3)11-8-9-6-4-5-7-10(9)13-11;1-9(2)12-7-10-5-3-4-6-11(10)8-12;1-11(2,3)9-4-5-10-8(6-9)7-12-13-10;1-11(2,3)10-8-6-4-5-7-9(8)12-13-10;1-8(2)11-12-9-6-4-5-7-10(9)13(11)3;1-8(2)9-3-4-10-6-12-7-11(10)5-9;1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-8(2)10-7-12-11-6-4-3-5-9(10)11;1-7(2)8-4-3-5-10-9(8)6-11-12-10/h5-6,8-9H,7H2,1-4H3;3-10H,1-2H3;3-5,7-8H,6H2,1-2H3;4-6,8H,7H2,1-3H3;3-9H,1-2H3;4-8,13H,1-3H3;4-7H,8H2,1-3H3;3-7,9H,8H2,1-2H3;2*4-7H,1-3H3,(H,12,13);4-8H,1-3H3;3-6,8H,7H2,1-2H3;2*3-8,12H,1-2H3;3-7H,1-2H3,(H,11,12)
InChIKeyHQHZGZRBCUQAHM-UHFFFAOYSA-N
MW2618.72 g/mol
LogP47.35
Rot. Bonds14

About 3-tert-butyl-2H-indazole;5-tert-butyl-1H-indazole;2-tert-butyl-3H-indole;6-tert-butyl-1H-indole;2-tert-butyl-5-methoxy-1H-indene;6-fluoro-2-propan-2-yl-1H-indene;3-(furan-2-yl)-5-propan-2-ylpyridine;5-methoxy-2-propan-2-yl-3H-indole;1-methyl-2-propan-2-ylbenzimidazole;4-propan-2-yl-1H-indazole;2-propan-2-yl-1H-indene;3-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-isoindole;3-propan-2-yl-5-pyridin-4-ylpyridine

3-tert-butyl-2H-indazole;5-tert-butyl-1H-indazole;2-tert-butyl-3H-indole;6-tert-butyl-1H-indole;2-tert-butyl-5-methoxy-1H-indene;6-fluoro-2-propan-2-yl-1H-indene;3-(furan-2-yl)-5-propan-2-ylpyridine;5-methoxy-2-propan-2-yl-3H-indole;1-methyl-2-propan-2-ylbenzimidazole;4-propan-2-yl-1H-indazole;2-propan-2-yl-1H-indene;3-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-isoindole;3-propan-2-yl-5-pyridin-4-ylpyridine (PubChem CID 158556155) has the molecular formula C175H210FN17O3 and a molecular weight of 2618.72 g/mol. Its IUPAC name is 3-tert-butyl-2H-indazole;5-tert-butyl-1H-indazole;2-tert-butyl-3H-indole;6-tert-butyl-1H-indole;2-tert-butyl-5-methoxy-1H-indene;6-fluoro-2-propan-2-yl-1H-indene;3-(furan-2-yl)-5-propan-2-ylpyridine;5-methoxy-2-propan-2-yl-3H-indole;1-methyl-2-propan-2-ylbenzimidazole;4-propan-2-yl-1H-indazole;2-propan-2-yl-1H-indene;3-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-isoindole;3-propan-2-yl-5-pyridin-4-ylpyridine.

Molecular Properties

Compound Name3-tert-butyl-2H-indazole;5-tert-butyl-1H-indazole;2-tert-butyl-3H-indole;6-tert-butyl-1H-indole;2-tert-butyl-5-methoxy-1H-indene;6-fluoro-2-propan-2-yl-1H-indene;3-(furan-2-yl)-5-propan-2-ylpyridine;5-methoxy-2-propan-2-yl-3H-indole;1-methyl-2-propan-2-ylbenzimidazole;4-propan-2-yl-1H-indazole;2-propan-2-yl-1H-indene;3-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-isoindole;3-propan-2-yl-5-pyridin-4-ylpyridine
PubChem CID158556155
Molecular FormulaC175H210FN17O3
Molecular Weight2618.72 g/mol
Exact Mass2616.68
IUPAC Name3-tert-butyl-2H-indazole;5-tert-butyl-1H-indazole;2-tert-butyl-3H-indole;6-tert-butyl-1H-indole;2-tert-butyl-5-methoxy-1H-indene;6-fluoro-2-propan-2-yl-1H-indene;3-(furan-2-yl)-5-propan-2-ylpyridine;5-methoxy-2-propan-2-yl-3H-indole;1-methyl-2-propan-2-ylbenzimidazole;4-propan-2-yl-1H-indazole;2-propan-2-yl-1H-indene;3-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-isoindole;3-propan-2-yl-5-pyridin-4-ylpyridine
SMILESCC(C)(C)C1=Nc2ccccc2C1.CC(C)(C)c1[nH]nc2ccccc12.CC(C)(C)c1ccc2[nH]ncc2c1.CC(C)(C)c1ccc2cc[nH]c2c1.CC(C)C1=Cc2ccc(F)cc2C1.CC(C)C1=Cc2ccccc2C1.CC(C)c1c[nH]c2ccccc12.CC(C)c1ccc2[nH]ccc2c1.CC(C)c1ccc2c(c1)CN=C2.CC(C)c1cccc2[nH]ncc12.CC(C)c1cncc(-c2ccco2)c1.CC(C)c1cncc(-c2ccncc2)c1.CC(C)c1nc2ccccc2n1C.COc1ccc2c(c1)C=C(C(C)(C)C)C2.COc1ccc2c(c1)CC(C(C)C)=N2
InChIInChI=1S/C14H18O.C13H14N2.C12H13F.C12H15NO.C12H13NO.2C12H15N.C12H14.3C11H14N2.3C11H13N.C10H12N2/c1-14(2,3)12-7-10-5-6-13(15-4)9-11(10)8-12;1-10(2)12-7-13(9-15-8-12)11-3-5-14-6-4-11;1-8(2)10-5-9-3-4-12(13)7-11(9)6-10;1-8(2)12-7-9-6-10(14-3)4-5-11(9)13-12;1-9(2)10-6-11(8-13-7-10)12-4-3-5-14-12;1-12(2,3)10-5-4-9-6-7-13-11(9)8-10;1-12(2,3)11-8-9-6-4-5-7-10(9)13-11;1-9(2)12-7-10-5-3-4-6-11(10)8-12;1-11(2,3)9-4-5-10-8(6-9)7-12-13-10;1-11(2,3)10-8-6-4-5-7-9(8)12-13-10;1-8(2)11-12-9-6-4-5-7-10(9)13(11)3;1-8(2)9-3-4-10-6-12-7-11(10)5-9;1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-8(2)10-7-12-11-6-4-3-5-9(10)11;1-7(2)8-4-3-5-10-9(8)6-11-12-10/h5-6,8-9H,7H2,1-4H3;3-10H,1-2H3;3-5,7-8H,6H2,1-2H3;4-6,8H,7H2,1-3H3;3-9H,1-2H3;4-8,13H,1-3H3;4-7H,8H2,1-3H3;3-7,9H,8H2,1-2H3;2*4-7H,1-3H3,(H,12,13);4-8H,1-3H3;3-6,8H,7H2,1-2H3;2*3-8,12H,1-2H3;3-7H,1-2H3,(H,11,12)
InChIKeyHQHZGZRBCUQAHM-UHFFFAOYSA-N
XLogP47.35
TPSA258.58 Ų
H-Bond Donors6
H-Bond Acceptors14
Rotatable Bonds14
Heavy Atoms196
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002618.72
LogP ≤ 547.35
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1014

Analyze 3-tert-butyl-2H-indazole;5-tert-butyl-1H-indazole;2-tert-butyl-3H-indole;6-tert-butyl-1H-indole;2-tert-butyl-5-methoxy-1H-indene;6-fluoro-2-propan-2-yl-1H-indene;3-(furan-2-yl)-5-propan-2-ylpyridine;5-methoxy-2-propan-2-yl-3H-indole;1-methyl-2-propan-2-ylbenzimidazole;4-propan-2-yl-1H-indazole;2-propan-2-yl-1H-indene;3-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-isoindole;3-propan-2-yl-5-pyridin-4-ylpyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-2H-indazole;5-tert-butyl-1H-indazole;2-tert-butyl-3H-indole;6-tert-butyl-1H-indole;2-tert-butyl-5-methoxy-1H-indene;6-fluoro-2-propan-2-yl-1H-indene;3-(furan-2-yl)-5-propan-2-ylpyridine;5-methoxy-2-propan-2-yl-3H-indole;1-methyl-2-propan-2-ylbenzimidazole;4-propan-2-yl-1H-indazole;2-propan-2-yl-1H-indene;3-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-isoindole;3-propan-2-yl-5-pyridin-4-ylpyridine?
The IUPAC name of 3-tert-butyl-2H-indazole;5-tert-butyl-1H-indazole;2-tert-butyl-3H-indole;6-tert-butyl-1H-indole;2-tert-butyl-5-methoxy-1H-indene;6-fluoro-2-propan-2-yl-1H-indene;3-(furan-2-yl)-5-propan-2-ylpyridine;5-methoxy-2-propan-2-yl-3H-indole;1-methyl-2-propan-2-ylbenzimidazole;4-propan-2-yl-1H-indazole;2-propan-2-yl-1H-indene;3-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-isoindole;3-propan-2-yl-5-pyridin-4-ylpyridine (CID 158556155) is 3-tert-butyl-2H-indazole;5-tert-butyl-1H-indazole;2-tert-butyl-3H-indole;6-tert-butyl-1H-indole;2-tert-butyl-5-methoxy-1H-indene;6-fluoro-2-propan-2-yl-1H-indene;3-(furan-2-yl)-5-propan-2-ylpyridine;5-methoxy-2-propan-2-yl-3H-indole;1-methyl-2-propan-2-ylbenzimidazole;4-propan-2-yl-1H-indazole;2-propan-2-yl-1H-indene;3-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-isoindole;3-propan-2-yl-5-pyridin-4-ylpyridine.
What is the SMILES notation for 3-tert-butyl-2H-indazole;5-tert-butyl-1H-indazole;2-tert-butyl-3H-indole;6-tert-butyl-1H-indole;2-tert-butyl-5-methoxy-1H-indene;6-fluoro-2-propan-2-yl-1H-indene;3-(furan-2-yl)-5-propan-2-ylpyridine;5-methoxy-2-propan-2-yl-3H-indole;1-methyl-2-propan-2-ylbenzimidazole;4-propan-2-yl-1H-indazole;2-propan-2-yl-1H-indene;3-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-isoindole;3-propan-2-yl-5-pyridin-4-ylpyridine?
The canonical SMILES for 3-tert-butyl-2H-indazole;5-tert-butyl-1H-indazole;2-tert-butyl-3H-indole;6-tert-butyl-1H-indole;2-tert-butyl-5-methoxy-1H-indene;6-fluoro-2-propan-2-yl-1H-indene;3-(furan-2-yl)-5-propan-2-ylpyridine;5-methoxy-2-propan-2-yl-3H-indole;1-methyl-2-propan-2-ylbenzimidazole;4-propan-2-yl-1H-indazole;2-propan-2-yl-1H-indene;3-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-isoindole;3-propan-2-yl-5-pyridin-4-ylpyridine is CC(C)(C)C1=Nc2ccccc2C1.CC(C)(C)c1[nH]nc2ccccc12.CC(C)(C)c1ccc2[nH]ncc2c1.CC(C)(C)c1ccc2cc[nH]c2c1.CC(C)C1=Cc2ccc(F)cc2C1.CC(C)C1=Cc2ccccc2C1.CC(C)c1c[nH]c2ccccc12.CC(C)c1ccc2[nH]ccc2c1.CC(C)c1ccc2c(c1)CN=C2.CC(C)c1cccc2[nH]ncc12.CC(C)c1cncc(-c2ccco2)c1.CC(C)c1cncc(-c2ccncc2)c1.CC(C)c1nc2ccccc2n1C.COc1ccc2c(c1)C=C(C(C)(C)C)C2.COc1ccc2c(c1)CC(C(C)C)=N2.
What is the InChIKey of 3-tert-butyl-2H-indazole;5-tert-butyl-1H-indazole;2-tert-butyl-3H-indole;6-tert-butyl-1H-indole;2-tert-butyl-5-methoxy-1H-indene;6-fluoro-2-propan-2-yl-1H-indene;3-(furan-2-yl)-5-propan-2-ylpyridine;5-methoxy-2-propan-2-yl-3H-indole;1-methyl-2-propan-2-ylbenzimidazole;4-propan-2-yl-1H-indazole;2-propan-2-yl-1H-indene;3-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-isoindole;3-propan-2-yl-5-pyridin-4-ylpyridine?
The InChIKey is HQHZGZRBCUQAHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O.C13H14N2.C12H13F.C12H15NO.C12H13NO.2C12H15N.C12H14.3C11H14N2.3C11H13N.C10H12N2/c1-14(2,3)12-7-10-5-6-13(15-4)9-11(10)8-12;1-10(2)12-7-13(9-15-8-12)11-3-5-14-6-4-11;1-8(2)10-5-9-3-4-12(13)7-11(9)6-10;1-8(2)12-7-9-6-10(14-3)4-5-11(9)13-12;1-9(2)10-6-11(8-13-7-10)12-4-3-5-14-12;1-12(2,3)10-5-4-9-6-7-13-11(9)8-10;1-12(2,3)11-8-9-6-4-5-7-10(9)13-11;1-9(2)12-7-10-5-3-4-6-11(10)8-12;1-11(2,3)9-4-5-10-8(6-9)7-12-13-10;1-11(2,3)10-8-6-4-5-7-9(8)12-13-10;1-8(2)11-12-9-6-4-5-7-10(9)13(11)3;1-8(2)9-3-4-10-6-12-7-11(10)5-9;1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-8(2)10-7-12-11-6-4-3-5-9(10)11;1-7(2)8-4-3-5-10-9(8)6-11-12-10/h5-6,8-9H,7H2,1-4H3;3-10H,1-2H3;3-5,7-8H,6H2,1-2H3;4-6,8H,7H2,1-3H3;3-9H,1-2H3;4-8,13H,1-3H3;4-7H,8H2,1-3H3;3-7,9H,8H2,1-2H3;2*4-7H,1-3H3,(H,12,13);4-8H,1-3H3;3-6,8H,7H2,1-2H3;2*3-8,12H,1-2H3;3-7H,1-2H3,(H,11,12).
What are the key properties of 3-tert-butyl-2H-indazole;5-tert-butyl-1H-indazole;2-tert-butyl-3H-indole;6-tert-butyl-1H-indole;2-tert-butyl-5-methoxy-1H-indene;6-fluoro-2-propan-2-yl-1H-indene;3-(furan-2-yl)-5-propan-2-ylpyridine;5-methoxy-2-propan-2-yl-3H-indole;1-methyl-2-propan-2-ylbenzimidazole;4-propan-2-yl-1H-indazole;2-propan-2-yl-1H-indene;3-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-isoindole;3-propan-2-yl-5-pyridin-4-ylpyridine?
3-tert-butyl-2H-indazole;5-tert-butyl-1H-indazole;2-tert-butyl-3H-indole;6-tert-butyl-1H-indole;2-tert-butyl-5-methoxy-1H-indene;6-fluoro-2-propan-2-yl-1H-indene;3-(furan-2-yl)-5-propan-2-ylpyridine;5-methoxy-2-propan-2-yl-3H-indole;1-methyl-2-propan-2-ylbenzimidazole;4-propan-2-yl-1H-indazole;2-propan-2-yl-1H-indene;3-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-isoindole;3-propan-2-yl-5-pyridin-4-ylpyridine has a molecular weight of 2618.72 g/mol, XLogP of 47.35, 14 rotatable bonds, 6 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-2H-indazole;5-tert-butyl-1H-indazole;2-tert-butyl-3H-indole;6-tert-butyl-1H-indole;2-tert-butyl-5-methoxy-1H-indene;6-fluoro-2-propan-2-yl-1H-indene;3-(furan-2-yl)-5-propan-2-ylpyridine;5-methoxy-2-propan-2-yl-3H-indole;1-methyl-2-propan-2-ylbenzimidazole;4-propan-2-yl-1H-indazole;2-propan-2-yl-1H-indene;3-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-isoindole;3-propan-2-yl-5-pyridin-4-ylpyridine is sourced from PubChem (CID 158556155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).