6-(1H-indol-5-yl)-1-(4-propan-2-yloxyphenyl)indazole

C24H21N3O — CID 134179264

IUPAC6-(1H-indol-5-yl)-1-(4-propan-2-yloxyphenyl)indazole
SMILESCC(C)Oc1ccc(-n2ncc3ccc(-c4ccc5[nH]ccc5c4)cc32)cc1
InChIInChI=1S/C24H21N3O/c1-16(2)28-22-8-6-21(7-9-22)27-24-14-18(3-4-20(24)15-26-27)17-5-10-23-19(13-17)11-12-25-23/h3-16,25H,1-2H3
InChIKeyUMQHFGBQHPXZET-UHFFFAOYSA-N
MW367.45 g/mol
LogP5.96
Rot. Bonds4

About 6-(1H-indol-5-yl)-1-(4-propan-2-yloxyphenyl)indazole

6-(1H-indol-5-yl)-1-(4-propan-2-yloxyphenyl)indazole (PubChem CID 134179264) has the molecular formula C24H21N3O and a molecular weight of 367.45 g/mol. Its IUPAC name is 6-(1H-indol-5-yl)-1-(4-propan-2-yloxyphenyl)indazole.

Molecular Properties

Compound Name6-(1H-indol-5-yl)-1-(4-propan-2-yloxyphenyl)indazole
PubChem CID134179264
Molecular FormulaC24H21N3O
Molecular Weight367.45 g/mol
Exact Mass367.17
IUPAC Name6-(1H-indol-5-yl)-1-(4-propan-2-yloxyphenyl)indazole
SMILESCC(C)Oc1ccc(-n2ncc3ccc(-c4ccc5[nH]ccc5c4)cc32)cc1
InChIInChI=1S/C24H21N3O/c1-16(2)28-22-8-6-21(7-9-22)27-24-14-18(3-4-20(24)15-26-27)17-5-10-23-19(13-17)11-12-25-23/h3-16,25H,1-2H3
InChIKeyUMQHFGBQHPXZET-UHFFFAOYSA-N
XLogP5.96
TPSA42.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.45
LogP ≤ 55.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(1H-indol-5-yl)-1-(4-propan-2-yloxyphenyl)benzotriazole
CID 139571337
1,6-bis(4-propan-2-yloxyphenyl)indazole;6-(1H-indol-5-yl)-1-(4-propan-2-yloxyphenyl)indazole;5-methyl-3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine;4-[6-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-3-yl]benzoic acid
CID 159598250
5-propan-2-yloxy-1H-indole
CID 16738054
5-[6-(4-methoxyphenyl)pyrazin-2-yl]-1H-indole
CID 126475199
5-(1-propan-2-ylpyrazol-3-yl)-1H-indole
CID 71071918
1,6-bis(4-propan-2-yloxyphenyl)imidazo[4,5-c]pyridine;6-(1H-indol-5-yl)-1-(4-propan-2-yloxyphenyl)imidazo[4,5-c]pyridine;1-[4-[1-(4-propan-2-yloxyphenyl)imidazo[4,5-c]pyridin-6-yl]phenyl]ethanone;bis(2-[4-[9-(4-propan-2-yloxyphenyl)purin-2-yl]phenyl]propan-2-ol)
CID 167697970
4-[6-(6-propan-2-yloxyindazol-1-yl)pyrazin-2-yl]benzoic acid
CID 177379117
6-(4-fluorophenyl)-3-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine;6-(1H-indol-5-yl)-3-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine;4-[3-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-6-yl]phenol;1-[4-[3-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-6-yl]phenyl]cyclobutan-1-ol
CID 158300259
2-fluoro-6-(4-propan-2-yloxyphenyl)naphthalene
CID 71063289
1-(4-propan-2-yloxyphenyl)-5-(6-propan-2-yloxy-3-pyridinyl)indole
CID 142686421
5-[4-(2-methoxyethoxy)phenyl]-1H-indole
CID 66820304
5-(6-bromo-3-pyridinyl)-1H-indole
CID 59145382

Frequently Asked Questions

What is the IUPAC name of 6-(1H-indol-5-yl)-1-(4-propan-2-yloxyphenyl)indazole?
The IUPAC name of 6-(1H-indol-5-yl)-1-(4-propan-2-yloxyphenyl)indazole (CID 134179264) is 6-(1H-indol-5-yl)-1-(4-propan-2-yloxyphenyl)indazole.
What is the SMILES notation for 6-(1H-indol-5-yl)-1-(4-propan-2-yloxyphenyl)indazole?
The canonical SMILES for 6-(1H-indol-5-yl)-1-(4-propan-2-yloxyphenyl)indazole is CC(C)Oc1ccc(-n2ncc3ccc(-c4ccc5[nH]ccc5c4)cc32)cc1.
What is the InChIKey of 6-(1H-indol-5-yl)-1-(4-propan-2-yloxyphenyl)indazole?
The InChIKey is UMQHFGBQHPXZET-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O/c1-16(2)28-22-8-6-21(7-9-22)27-24-14-18(3-4-20(24)15-26-27)17-5-10-23-19(13-17)11-12-25-23/h3-16,25H,1-2H3.
What are the key properties of 6-(1H-indol-5-yl)-1-(4-propan-2-yloxyphenyl)indazole?
6-(1H-indol-5-yl)-1-(4-propan-2-yloxyphenyl)indazole has a molecular weight of 367.45 g/mol, XLogP of 5.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1H-indol-5-yl)-1-(4-propan-2-yloxyphenyl)indazole is sourced from PubChem (CID 134179264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).