1-(4-propan-2-yloxyphenyl)-5-(6-propan-2-yloxy-3-pyridinyl)indole

C25H26N2O2 — CID 142686421

IUPAC1-(4-propan-2-yloxyphenyl)-5-(6-propan-2-yloxy-3-pyridinyl)indole
SMILESCC(C)Oc1ccc(-n2ccc3cc(-c4ccc(OC(C)C)nc4)ccc32)cc1
InChIInChI=1S/C25H26N2O2/c1-17(2)28-23-9-7-22(8-10-23)27-14-13-20-15-19(5-11-24(20)27)21-6-12-25(26-16-21)29-18(3)4/h5-18H,1-4H3
InChIKeyJGTXJDWXNKPSGR-UHFFFAOYSA-N
MW386.50 g/mol
LogP6.27
Rot. Bonds6

About 1-(4-propan-2-yloxyphenyl)-5-(6-propan-2-yloxy-3-pyridinyl)indole

1-(4-propan-2-yloxyphenyl)-5-(6-propan-2-yloxy-3-pyridinyl)indole (PubChem CID 142686421) has the molecular formula C25H26N2O2 and a molecular weight of 386.50 g/mol. Its IUPAC name is 1-(4-propan-2-yloxyphenyl)-5-(6-propan-2-yloxy-3-pyridinyl)indole.

Molecular Properties

Compound Name1-(4-propan-2-yloxyphenyl)-5-(6-propan-2-yloxy-3-pyridinyl)indole
PubChem CID142686421
Molecular FormulaC25H26N2O2
Molecular Weight386.50 g/mol
Exact Mass386.20
IUPAC Name1-(4-propan-2-yloxyphenyl)-5-(6-propan-2-yloxy-3-pyridinyl)indole
SMILESCC(C)Oc1ccc(-n2ccc3cc(-c4ccc(OC(C)C)nc4)ccc32)cc1
InChIInChI=1S/C25H26N2O2/c1-17(2)28-23-9-7-22(8-10-23)27-14-13-20-15-19(5-11-24(20)27)21-6-12-25(26-16-21)29-18(3)4/h5-18H,1-4H3
InChIKeyJGTXJDWXNKPSGR-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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Frequently Asked Questions

What is the IUPAC name of 1-(4-propan-2-yloxyphenyl)-5-(6-propan-2-yloxy-3-pyridinyl)indole?
The IUPAC name of 1-(4-propan-2-yloxyphenyl)-5-(6-propan-2-yloxy-3-pyridinyl)indole (CID 142686421) is 1-(4-propan-2-yloxyphenyl)-5-(6-propan-2-yloxy-3-pyridinyl)indole.
What is the SMILES notation for 1-(4-propan-2-yloxyphenyl)-5-(6-propan-2-yloxy-3-pyridinyl)indole?
The canonical SMILES for 1-(4-propan-2-yloxyphenyl)-5-(6-propan-2-yloxy-3-pyridinyl)indole is CC(C)Oc1ccc(-n2ccc3cc(-c4ccc(OC(C)C)nc4)ccc32)cc1.
What is the InChIKey of 1-(4-propan-2-yloxyphenyl)-5-(6-propan-2-yloxy-3-pyridinyl)indole?
The InChIKey is JGTXJDWXNKPSGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O2/c1-17(2)28-23-9-7-22(8-10-23)27-14-13-20-15-19(5-11-24(20)27)21-6-12-25(26-16-21)29-18(3)4/h5-18H,1-4H3.
What are the key properties of 1-(4-propan-2-yloxyphenyl)-5-(6-propan-2-yloxy-3-pyridinyl)indole?
1-(4-propan-2-yloxyphenyl)-5-(6-propan-2-yloxy-3-pyridinyl)indole 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-(4-propan-2-yloxyphenyl)-5-(6-propan-2-yloxy-3-pyridinyl)indole is sourced from PubChem (CID 142686421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).