3-[4-[6-[(4-ethylphenyl)methylamino]imidazo[4,5-b]pyridin-3-yl]phenoxy]propan-1-ol

C24H26N4O2 — CID 71521092

IUPAC3-[4-[6-[(4-ethylphenyl)methylamino]imidazo[4,5-b]pyridin-3-yl]phenoxy]propan-1-ol
SMILESCCc1ccc(CNc2cnc3c(c2)ncn3-c2ccc(OCCCO)cc2)cc1
InChIInChI=1S/C24H26N4O2/c1-2-18-4-6-19(7-5-18)15-25-20-14-23-24(26-16-20)28(17-27-23)21-8-10-22(11-9-21)30-13-3-12-29/h4-11,14,16-17,25,29H,2-3,12-13,15H2,1H3
InChIKeyFKZUSPAAAOJCQX-UHFFFAOYSA-N
MW402.50 g/mol
LogP4.36
Rot. Bonds9

About 3-[4-[6-[(4-ethylphenyl)methylamino]imidazo[4,5-b]pyridin-3-yl]phenoxy]propan-1-ol

3-[4-[6-[(4-ethylphenyl)methylamino]imidazo[4,5-b]pyridin-3-yl]phenoxy]propan-1-ol (PubChem CID 71521092) has the molecular formula C24H26N4O2 and a molecular weight of 402.50 g/mol. Its IUPAC name is 3-[4-[6-[(4-ethylphenyl)methylamino]imidazo[4,5-b]pyridin-3-yl]phenoxy]propan-1-ol.

Molecular Properties

Compound Name3-[4-[6-[(4-ethylphenyl)methylamino]imidazo[4,5-b]pyridin-3-yl]phenoxy]propan-1-ol
PubChem CID71521092
Molecular FormulaC24H26N4O2
Molecular Weight402.50 g/mol
Exact Mass402.21
IUPAC Name3-[4-[6-[(4-ethylphenyl)methylamino]imidazo[4,5-b]pyridin-3-yl]phenoxy]propan-1-ol
SMILESCCc1ccc(CNc2cnc3c(c2)ncn3-c2ccc(OCCCO)cc2)cc1
InChIInChI=1S/C24H26N4O2/c1-2-18-4-6-19(7-5-18)15-25-20-14-23-24(26-16-20)28(17-27-23)21-8-10-22(11-9-21)30-13-3-12-29/h4-11,14,16-17,25,29H,2-3,12-13,15H2,1H3
InChIKeyFKZUSPAAAOJCQX-UHFFFAOYSA-N
XLogP4.36
TPSA72.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[6-[(4-ethylphenyl)methylamino]imidazo[4,5-b]pyridin-3-yl]phenoxy]propan-1-ol?
The IUPAC name of 3-[4-[6-[(4-ethylphenyl)methylamino]imidazo[4,5-b]pyridin-3-yl]phenoxy]propan-1-ol (CID 71521092) is 3-[4-[6-[(4-ethylphenyl)methylamino]imidazo[4,5-b]pyridin-3-yl]phenoxy]propan-1-ol.
What is the SMILES notation for 3-[4-[6-[(4-ethylphenyl)methylamino]imidazo[4,5-b]pyridin-3-yl]phenoxy]propan-1-ol?
The canonical SMILES for 3-[4-[6-[(4-ethylphenyl)methylamino]imidazo[4,5-b]pyridin-3-yl]phenoxy]propan-1-ol is CCc1ccc(CNc2cnc3c(c2)ncn3-c2ccc(OCCCO)cc2)cc1.
What is the InChIKey of 3-[4-[6-[(4-ethylphenyl)methylamino]imidazo[4,5-b]pyridin-3-yl]phenoxy]propan-1-ol?
The InChIKey is FKZUSPAAAOJCQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2/c1-2-18-4-6-19(7-5-18)15-25-20-14-23-24(26-16-20)28(17-27-23)21-8-10-22(11-9-21)30-13-3-12-29/h4-11,14,16-17,25,29H,2-3,12-13,15H2,1H3.
What are the key properties of 3-[4-[6-[(4-ethylphenyl)methylamino]imidazo[4,5-b]pyridin-3-yl]phenoxy]propan-1-ol?
3-[4-[6-[(4-ethylphenyl)methylamino]imidazo[4,5-b]pyridin-3-yl]phenoxy]propan-1-ol has a molecular weight of 402.50 g/mol, XLogP of 4.36, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[6-[(4-ethylphenyl)methylamino]imidazo[4,5-b]pyridin-3-yl]phenoxy]propan-1-ol is sourced from PubChem (CID 71521092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).