4-[3-[3-[2-(diethylamino)ethyl]-2-hydroxyphenyl]imidazo[1,5-a]pyridin-1-yl]pyridin-3-ol

C24H26N4O2 — CID 162471481

IUPAC4-[3-[3-[2-(diethylamino)ethyl]-2-hydroxyphenyl]imidazo[1,5-a]pyridin-1-yl]pyridin-3-ol
SMILESCCN(CC)CCc1cccc(-c2nc(-c3ccncc3O)c3ccccn23)c1O
InChIInChI=1S/C24H26N4O2/c1-3-27(4-2)15-12-17-8-7-9-19(23(17)30)24-26-22(18-11-13-25-16-21(18)29)20-10-5-6-14-28(20)24/h5-11,13-14,16,29-30H,3-4,12,15H2,1-2H3
InChIKeyXEYLUTMQIGVGMV-UHFFFAOYSA-N
MW402.50 g/mol
LogP4.36
Rot. Bonds7

About 4-[3-[3-[2-(diethylamino)ethyl]-2-hydroxyphenyl]imidazo[1,5-a]pyridin-1-yl]pyridin-3-ol

4-[3-[3-[2-(diethylamino)ethyl]-2-hydroxyphenyl]imidazo[1,5-a]pyridin-1-yl]pyridin-3-ol (PubChem CID 162471481) has the molecular formula C24H26N4O2 and a molecular weight of 402.50 g/mol. Its IUPAC name is 4-[3-[3-[2-(diethylamino)ethyl]-2-hydroxyphenyl]imidazo[1,5-a]pyridin-1-yl]pyridin-3-ol.

Molecular Properties

Compound Name4-[3-[3-[2-(diethylamino)ethyl]-2-hydroxyphenyl]imidazo[1,5-a]pyridin-1-yl]pyridin-3-ol
PubChem CID162471481
Molecular FormulaC24H26N4O2
Molecular Weight402.50 g/mol
Exact Mass402.21
IUPAC Name4-[3-[3-[2-(diethylamino)ethyl]-2-hydroxyphenyl]imidazo[1,5-a]pyridin-1-yl]pyridin-3-ol
SMILESCCN(CC)CCc1cccc(-c2nc(-c3ccncc3O)c3ccccn23)c1O
InChIInChI=1S/C24H26N4O2/c1-3-27(4-2)15-12-17-8-7-9-19(23(17)30)24-26-22(18-11-13-25-16-21(18)29)20-10-5-6-14-28(20)24/h5-11,13-14,16,29-30H,3-4,12,15H2,1-2H3
InChIKeyXEYLUTMQIGVGMV-UHFFFAOYSA-N
XLogP4.36
TPSA73.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
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

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[3-[2-(diethylamino)ethyl]-2-hydroxyphenyl]imidazo[1,5-a]pyridin-1-yl]pyridin-3-ol?
The IUPAC name of 4-[3-[3-[2-(diethylamino)ethyl]-2-hydroxyphenyl]imidazo[1,5-a]pyridin-1-yl]pyridin-3-ol (CID 162471481) is 4-[3-[3-[2-(diethylamino)ethyl]-2-hydroxyphenyl]imidazo[1,5-a]pyridin-1-yl]pyridin-3-ol.
What is the SMILES notation for 4-[3-[3-[2-(diethylamino)ethyl]-2-hydroxyphenyl]imidazo[1,5-a]pyridin-1-yl]pyridin-3-ol?
The canonical SMILES for 4-[3-[3-[2-(diethylamino)ethyl]-2-hydroxyphenyl]imidazo[1,5-a]pyridin-1-yl]pyridin-3-ol is CCN(CC)CCc1cccc(-c2nc(-c3ccncc3O)c3ccccn23)c1O.
What is the InChIKey of 4-[3-[3-[2-(diethylamino)ethyl]-2-hydroxyphenyl]imidazo[1,5-a]pyridin-1-yl]pyridin-3-ol?
The InChIKey is XEYLUTMQIGVGMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2/c1-3-27(4-2)15-12-17-8-7-9-19(23(17)30)24-26-22(18-11-13-25-16-21(18)29)20-10-5-6-14-28(20)24/h5-11,13-14,16,29-30H,3-4,12,15H2,1-2H3.
What are the key properties of 4-[3-[3-[2-(diethylamino)ethyl]-2-hydroxyphenyl]imidazo[1,5-a]pyridin-1-yl]pyridin-3-ol?
4-[3-[3-[2-(diethylamino)ethyl]-2-hydroxyphenyl]imidazo[1,5-a]pyridin-1-yl]pyridin-3-ol has a molecular weight of 402.50 g/mol, XLogP of 4.36, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[3-[2-(diethylamino)ethyl]-2-hydroxyphenyl]imidazo[1,5-a]pyridin-1-yl]pyridin-3-ol is sourced from PubChem (CID 162471481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).