N-[3-[6-(4-hydroxyphenyl)imidazo[1,5-a]pyridin-8-yl]oxycyclobutyl]prop-2-enamide

C20H19N3O3 — CID 162752545

IUPACN-[3-[6-(4-hydroxyphenyl)imidazo[1,5-a]pyridin-8-yl]oxycyclobutyl]prop-2-enamide
SMILESC=CC(=O)NC1CC(Oc2cc(-c3ccc(O)cc3)cn3cncc23)C1
InChIInChI=1S/C20H19N3O3/c1-2-20(25)22-15-8-17(9-15)26-19-7-14(11-23-12-21-10-18(19)23)13-3-5-16(24)6-4-13/h2-7,10-12,15,17,24H,1,8-9H2,(H,22,25)
InChIKeyNBHVFUZEPASIRO-UHFFFAOYSA-N
MW349.39 g/mol
LogP2.92
Rot. Bonds5

About N-[3-[6-(4-hydroxyphenyl)imidazo[1,5-a]pyridin-8-yl]oxycyclobutyl]prop-2-enamide

N-[3-[6-(4-hydroxyphenyl)imidazo[1,5-a]pyridin-8-yl]oxycyclobutyl]prop-2-enamide (PubChem CID 162752545) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is N-[3-[6-(4-hydroxyphenyl)imidazo[1,5-a]pyridin-8-yl]oxycyclobutyl]prop-2-enamide.

Molecular Properties

Compound NameN-[3-[6-(4-hydroxyphenyl)imidazo[1,5-a]pyridin-8-yl]oxycyclobutyl]prop-2-enamide
PubChem CID162752545
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC NameN-[3-[6-(4-hydroxyphenyl)imidazo[1,5-a]pyridin-8-yl]oxycyclobutyl]prop-2-enamide
SMILESC=CC(=O)NC1CC(Oc2cc(-c3ccc(O)cc3)cn3cncc23)C1
InChIInChI=1S/C20H19N3O3/c1-2-20(25)22-15-8-17(9-15)26-19-7-14(11-23-12-21-10-18(19)23)13-3-5-16(24)6-4-13/h2-7,10-12,15,17,24H,1,8-9H2,(H,22,25)
InChIKeyNBHVFUZEPASIRO-UHFFFAOYSA-N
XLogP2.92
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-[3-[6-(4-hydroxyphenyl)imidazo[1,5-a]pyridin-8-yl]oxycyclobutyl]prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-[6-(4-hydroxyphenyl)imidazo[1,5-a]pyridin-8-yl]oxycyclobutyl]prop-2-enamide?
The IUPAC name of N-[3-[6-(4-hydroxyphenyl)imidazo[1,5-a]pyridin-8-yl]oxycyclobutyl]prop-2-enamide (CID 162752545) is N-[3-[6-(4-hydroxyphenyl)imidazo[1,5-a]pyridin-8-yl]oxycyclobutyl]prop-2-enamide.
What is the SMILES notation for N-[3-[6-(4-hydroxyphenyl)imidazo[1,5-a]pyridin-8-yl]oxycyclobutyl]prop-2-enamide?
The canonical SMILES for N-[3-[6-(4-hydroxyphenyl)imidazo[1,5-a]pyridin-8-yl]oxycyclobutyl]prop-2-enamide is C=CC(=O)NC1CC(Oc2cc(-c3ccc(O)cc3)cn3cncc23)C1.
What is the InChIKey of N-[3-[6-(4-hydroxyphenyl)imidazo[1,5-a]pyridin-8-yl]oxycyclobutyl]prop-2-enamide?
The InChIKey is NBHVFUZEPASIRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3/c1-2-20(25)22-15-8-17(9-15)26-19-7-14(11-23-12-21-10-18(19)23)13-3-5-16(24)6-4-13/h2-7,10-12,15,17,24H,1,8-9H2,(H,22,25).
What are the key properties of N-[3-[6-(4-hydroxyphenyl)imidazo[1,5-a]pyridin-8-yl]oxycyclobutyl]prop-2-enamide?
N-[3-[6-(4-hydroxyphenyl)imidazo[1,5-a]pyridin-8-yl]oxycyclobutyl]prop-2-enamide has a molecular weight of 349.39 g/mol, XLogP of 2.92, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[6-(4-hydroxyphenyl)imidazo[1,5-a]pyridin-8-yl]oxycyclobutyl]prop-2-enamide is sourced from PubChem (CID 162752545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).