3,5-bis(4-propan-2-yloxyphenyl)imidazo[4,5-b]pyridine

C24H25N3O2 — CID 134179632

IUPAC3,5-bis(4-propan-2-yloxyphenyl)imidazo[4,5-b]pyridine
SMILESCC(C)Oc1ccc(-c2ccc3ncn(-c4ccc(OC(C)C)cc4)c3n2)cc1
InChIInChI=1S/C24H25N3O2/c1-16(2)28-20-9-5-18(6-10-20)22-13-14-23-24(26-22)27(15-25-23)19-7-11-21(12-8-19)29-17(3)4/h5-17H,1-4H3
InChIKeyAIGFXGSSYIGCDV-UHFFFAOYSA-N
MW387.48 g/mol
LogP5.66
Rot. Bonds6

About 3,5-bis(4-propan-2-yloxyphenyl)imidazo[4,5-b]pyridine

3,5-bis(4-propan-2-yloxyphenyl)imidazo[4,5-b]pyridine (PubChem CID 134179632) has the molecular formula C24H25N3O2 and a molecular weight of 387.48 g/mol. Its IUPAC name is 3,5-bis(4-propan-2-yloxyphenyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3,5-bis(4-propan-2-yloxyphenyl)imidazo[4,5-b]pyridine
PubChem CID134179632
Molecular FormulaC24H25N3O2
Molecular Weight387.48 g/mol
Exact Mass387.19
IUPAC Name3,5-bis(4-propan-2-yloxyphenyl)imidazo[4,5-b]pyridine
SMILESCC(C)Oc1ccc(-c2ccc3ncn(-c4ccc(OC(C)C)cc4)c3n2)cc1
InChIInChI=1S/C24H25N3O2/c1-16(2)28-20-9-5-18(6-10-20)22-13-14-23-24(26-22)27(15-25-23)19-7-11-21(12-8-19)29-17(3)4/h5-17H,1-4H3
InChIKeyAIGFXGSSYIGCDV-UHFFFAOYSA-N
XLogP5.66
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.48
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,5-bis(4-propan-2-yloxyphenyl)imidazo[4,5-b]pyridine?
The IUPAC name of 3,5-bis(4-propan-2-yloxyphenyl)imidazo[4,5-b]pyridine (CID 134179632) is 3,5-bis(4-propan-2-yloxyphenyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 3,5-bis(4-propan-2-yloxyphenyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 3,5-bis(4-propan-2-yloxyphenyl)imidazo[4,5-b]pyridine is CC(C)Oc1ccc(-c2ccc3ncn(-c4ccc(OC(C)C)cc4)c3n2)cc1.
What is the InChIKey of 3,5-bis(4-propan-2-yloxyphenyl)imidazo[4,5-b]pyridine?
The InChIKey is AIGFXGSSYIGCDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O2/c1-16(2)28-20-9-5-18(6-10-20)22-13-14-23-24(26-22)27(15-25-23)19-7-11-21(12-8-19)29-17(3)4/h5-17H,1-4H3.
What are the key properties of 3,5-bis(4-propan-2-yloxyphenyl)imidazo[4,5-b]pyridine?
3,5-bis(4-propan-2-yloxyphenyl)imidazo[4,5-b]pyridine has a molecular weight of 387.48 g/mol, XLogP of 5.66, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(4-propan-2-yloxyphenyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 134179632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).