1,6-bis(4-propan-2-yloxyphenyl)indazole

C25H26N2O2 — CID 134179277

IUPAC1,6-bis(4-propan-2-yloxyphenyl)indazole
SMILESCC(C)Oc1ccc(-c2ccc3cnn(-c4ccc(OC(C)C)cc4)c3c2)cc1
InChIInChI=1S/C25H26N2O2/c1-17(2)28-23-11-7-19(8-12-23)20-5-6-21-16-26-27(25(21)15-20)22-9-13-24(14-10-22)29-18(3)4/h5-18H,1-4H3
InChIKeyVIWCOGHNVAGBPG-UHFFFAOYSA-N
MW386.50 g/mol
LogP6.27
Rot. Bonds6

About 1,6-bis(4-propan-2-yloxyphenyl)indazole

1,6-bis(4-propan-2-yloxyphenyl)indazole (PubChem CID 134179277) has the molecular formula C25H26N2O2 and a molecular weight of 386.50 g/mol. Its IUPAC name is 1,6-bis(4-propan-2-yloxyphenyl)indazole.

Molecular Properties

Compound Name1,6-bis(4-propan-2-yloxyphenyl)indazole
PubChem CID134179277
Molecular FormulaC25H26N2O2
Molecular Weight386.50 g/mol
Exact Mass386.20
IUPAC Name1,6-bis(4-propan-2-yloxyphenyl)indazole
SMILESCC(C)Oc1ccc(-c2ccc3cnn(-c4ccc(OC(C)C)cc4)c3c2)cc1
InChIInChI=1S/C25H26N2O2/c1-17(2)28-23-11-7-19(8-12-23)20-5-6-21-16-26-27(25(21)15-20)22-9-13-24(14-10-22)29-18(3)4/h5-18H,1-4H3
InChIKeyVIWCOGHNVAGBPG-UHFFFAOYSA-N
XLogP6.27
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.50
LogP ≤ 56.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenyl-propan-2-yl]-2,2-dimethyl-propanamide
CID 25011854
N-[(1R,2S)-1-(4-ethylphenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-propan-2-yl]-2,2-dimethyl-propanamide
CID 25012190
N-[(1R,2S)-1-(4-ethylphenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-propan-2-yl]-2-hydroxy-acetamide
CID 25013489
1,6-Bis(4-propan-2-yloxyphenyl)indole
CID 134179284
1,6-Bis(4-propan-2-yloxyphenyl)benzotriazole
CID 134179628
(1S)-1-[(4aR,5S)-1-(4-methoxyphenyl)-4a-methyl-5,6,7,8-tetrahydro-4H-benzo[f]indazol-5-yl]ethanol
CID 164621667
N-(4-ethoxyphenyl)-4-methyl-1H-indazole-1-carboxamide
CID 22510448
3-(4-ethylphenyl)-8-methoxy-1-(4-methoxyphenyl)-1H-pyrazolo[4,3-c]quinoline
CID 15990631
8-ethoxy-3-(3-methoxyphenyl)-1-phenyl-1H-pyrazolo[4,3-c]quinoline
CID 15990640
6-(4-Ethoxy-phenyl)-1-(4-ethyl-phenyl)-4,5,7-trimethyl-6H-pyrrolo[3,4-d]pyridazine
CID 9977389
6-(4-Ethoxy-phenyl)-1,5,7-trimethyl-4-p-tolyl-6H-pyrrolo[3,4-d]pyridazine
CID 10022126
1,6-Bis-(4-ethoxy-phenyl)-4,5,7-trimethyl-6H-pyrrolo[3,4-d]pyridazine
CID 10046621

Frequently Asked Questions

What is the IUPAC name of 1,6-bis(4-propan-2-yloxyphenyl)indazole?
The IUPAC name of 1,6-bis(4-propan-2-yloxyphenyl)indazole (CID 134179277) is 1,6-bis(4-propan-2-yloxyphenyl)indazole.
What is the SMILES notation for 1,6-bis(4-propan-2-yloxyphenyl)indazole?
The canonical SMILES for 1,6-bis(4-propan-2-yloxyphenyl)indazole is CC(C)Oc1ccc(-c2ccc3cnn(-c4ccc(OC(C)C)cc4)c3c2)cc1.
What is the InChIKey of 1,6-bis(4-propan-2-yloxyphenyl)indazole?
The InChIKey is VIWCOGHNVAGBPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O2/c1-17(2)28-23-11-7-19(8-12-23)20-5-6-21-16-26-27(25(21)15-20)22-9-13-24(14-10-22)29-18(3)4/h5-18H,1-4H3.
What are the key properties of 1,6-bis(4-propan-2-yloxyphenyl)indazole?
1,6-bis(4-propan-2-yloxyphenyl)indazole has a molecular weight of 386.50 g/mol, XLogP of 6.27, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-bis(4-propan-2-yloxyphenyl)indazole is sourced from PubChem (CID 134179277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).