3,5-bis(4-propan-2-yloxyphenyl)-1H-indazole

C25H26N2O2 — CID 134179643

IUPAC3,5-bis(4-propan-2-yloxyphenyl)-1H-indazole
SMILESCC(C)Oc1ccc(-c2ccc3[nH]nc(-c4ccc(OC(C)C)cc4)c3c2)cc1
InChIInChI=1S/C25H26N2O2/c1-16(2)28-21-10-5-18(6-11-21)20-9-14-24-23(15-20)25(27-26-24)19-7-12-22(13-8-19)29-17(3)4/h5-17H,1-4H3,(H,26,27)
InChIKeyNSSUALWGSAOJJV-UHFFFAOYSA-N
MW386.50 g/mol
LogP6.47
Rot. Bonds6

About 3,5-bis(4-propan-2-yloxyphenyl)-1H-indazole

3,5-bis(4-propan-2-yloxyphenyl)-1H-indazole (PubChem CID 134179643) has the molecular formula C25H26N2O2 and a molecular weight of 386.50 g/mol. Its IUPAC name is 3,5-bis(4-propan-2-yloxyphenyl)-1H-indazole.

Molecular Properties

Compound Name3,5-bis(4-propan-2-yloxyphenyl)-1H-indazole
PubChem CID134179643
Molecular FormulaC25H26N2O2
Molecular Weight386.50 g/mol
Exact Mass386.20
IUPAC Name3,5-bis(4-propan-2-yloxyphenyl)-1H-indazole
SMILESCC(C)Oc1ccc(-c2ccc3[nH]nc(-c4ccc(OC(C)C)cc4)c3c2)cc1
InChIInChI=1S/C25H26N2O2/c1-16(2)28-21-10-5-18(6-11-21)20-9-14-24-23(15-20)25(27-26-24)19-7-12-22(13-8-19)29-17(3)4/h5-17H,1-4H3,(H,26,27)
InChIKeyNSSUALWGSAOJJV-UHFFFAOYSA-N
XLogP6.47
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.50
LogP ≤ 56.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-bis(4-propan-2-yloxyphenyl)-1H-indazole?
The IUPAC name of 3,5-bis(4-propan-2-yloxyphenyl)-1H-indazole (CID 134179643) is 3,5-bis(4-propan-2-yloxyphenyl)-1H-indazole.
What is the SMILES notation for 3,5-bis(4-propan-2-yloxyphenyl)-1H-indazole?
The canonical SMILES for 3,5-bis(4-propan-2-yloxyphenyl)-1H-indazole is CC(C)Oc1ccc(-c2ccc3[nH]nc(-c4ccc(OC(C)C)cc4)c3c2)cc1.
What is the InChIKey of 3,5-bis(4-propan-2-yloxyphenyl)-1H-indazole?
The InChIKey is NSSUALWGSAOJJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O2/c1-16(2)28-21-10-5-18(6-11-21)20-9-14-24-23(15-20)25(27-26-24)19-7-12-22(13-8-19)29-17(3)4/h5-17H,1-4H3,(H,26,27).
What are the key properties of 3,5-bis(4-propan-2-yloxyphenyl)-1H-indazole?
3,5-bis(4-propan-2-yloxyphenyl)-1H-indazole has a molecular weight of 386.50 g/mol, XLogP of 6.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(4-propan-2-yloxyphenyl)-1H-indazole is sourced from PubChem (CID 134179643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).