(E)-4-(dimethylamino)-1-[3-[[6-(3-fluoro-4-hydroxyphenyl)imidazo[1,5-a]pyridin-8-yl]oxymethyl]azetidin-1-yl]but-2-en-1-one

C23H25FN4O3 — CID 154605101

IUPAC(E)-4-(dimethylamino)-1-[3-[[6-(3-fluoro-4-hydroxyphenyl)imidazo[1,5-a]pyridin-8-yl]oxymethyl]azetidin-1-yl]but-2-en-1-one
SMILESCN(C)C/C=C/C(=O)N1CC(COc2cc(-c3ccc(O)c(F)c3)cn3cncc23)C1
InChIInChI=1S/C23H25FN4O3/c1-26(2)7-3-4-23(30)27-11-16(12-27)14-31-22-9-18(13-28-15-25-10-20(22)28)17-5-6-21(29)19(24)8-17/h3-6,8-10,13,15-16,29H,7,11-12,14H2,1-2H3/b4-3+
InChIKeySZSUODVWKTUPAX-ONEGZZNKSA-N
MW424.48 g/mol
LogP2.80
Rot. Bonds7

About (E)-4-(dimethylamino)-1-[3-[[6-(3-fluoro-4-hydroxyphenyl)imidazo[1,5-a]pyridin-8-yl]oxymethyl]azetidin-1-yl]but-2-en-1-one

(E)-4-(dimethylamino)-1-[3-[[6-(3-fluoro-4-hydroxyphenyl)imidazo[1,5-a]pyridin-8-yl]oxymethyl]azetidin-1-yl]but-2-en-1-one (PubChem CID 154605101) has the molecular formula C23H25FN4O3 and a molecular weight of 424.48 g/mol. Its IUPAC name is (E)-4-(dimethylamino)-1-[3-[[6-(3-fluoro-4-hydroxyphenyl)imidazo[1,5-a]pyridin-8-yl]oxymethyl]azetidin-1-yl]but-2-en-1-one.

Molecular Properties

Compound Name(E)-4-(dimethylamino)-1-[3-[[6-(3-fluoro-4-hydroxyphenyl)imidazo[1,5-a]pyridin-8-yl]oxymethyl]azetidin-1-yl]but-2-en-1-one
PubChem CID154605101
Molecular FormulaC23H25FN4O3
Molecular Weight424.48 g/mol
Exact Mass424.19
IUPAC Name(E)-4-(dimethylamino)-1-[3-[[6-(3-fluoro-4-hydroxyphenyl)imidazo[1,5-a]pyridin-8-yl]oxymethyl]azetidin-1-yl]but-2-en-1-one
SMILESCN(C)C/C=C/C(=O)N1CC(COc2cc(-c3ccc(O)c(F)c3)cn3cncc23)C1
InChIInChI=1S/C23H25FN4O3/c1-26(2)7-3-4-23(30)27-11-16(12-27)14-31-22-9-18(13-28-15-25-10-20(22)28)17-5-6-21(29)19(24)8-17/h3-6,8-10,13,15-16,29H,7,11-12,14H2,1-2H3/b4-3+
InChIKeySZSUODVWKTUPAX-ONEGZZNKSA-N
XLogP2.80
TPSA70.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.48
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (E)-4-(dimethylamino)-1-[3-[[6-(3-fluoro-4-hydroxyphenyl)imidazo[1,5-a]pyridin-8-yl]oxymethyl]azetidin-1-yl]but-2-en-1-one 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 (E)-4-(dimethylamino)-1-[3-[[6-(3-fluoro-4-hydroxyphenyl)imidazo[1,5-a]pyridin-8-yl]oxymethyl]azetidin-1-yl]but-2-en-1-one?
The IUPAC name of (E)-4-(dimethylamino)-1-[3-[[6-(3-fluoro-4-hydroxyphenyl)imidazo[1,5-a]pyridin-8-yl]oxymethyl]azetidin-1-yl]but-2-en-1-one (CID 154605101) is (E)-4-(dimethylamino)-1-[3-[[6-(3-fluoro-4-hydroxyphenyl)imidazo[1,5-a]pyridin-8-yl]oxymethyl]azetidin-1-yl]but-2-en-1-one.
What is the SMILES notation for (E)-4-(dimethylamino)-1-[3-[[6-(3-fluoro-4-hydroxyphenyl)imidazo[1,5-a]pyridin-8-yl]oxymethyl]azetidin-1-yl]but-2-en-1-one?
The canonical SMILES for (E)-4-(dimethylamino)-1-[3-[[6-(3-fluoro-4-hydroxyphenyl)imidazo[1,5-a]pyridin-8-yl]oxymethyl]azetidin-1-yl]but-2-en-1-one is CN(C)C/C=C/C(=O)N1CC(COc2cc(-c3ccc(O)c(F)c3)cn3cncc23)C1.
What is the InChIKey of (E)-4-(dimethylamino)-1-[3-[[6-(3-fluoro-4-hydroxyphenyl)imidazo[1,5-a]pyridin-8-yl]oxymethyl]azetidin-1-yl]but-2-en-1-one?
The InChIKey is SZSUODVWKTUPAX-ONEGZZNKSA-N. The full InChI is InChI=1S/C23H25FN4O3/c1-26(2)7-3-4-23(30)27-11-16(12-27)14-31-22-9-18(13-28-15-25-10-20(22)28)17-5-6-21(29)19(24)8-17/h3-6,8-10,13,15-16,29H,7,11-12,14H2,1-2H3/b4-3+.
What are the key properties of (E)-4-(dimethylamino)-1-[3-[[6-(3-fluoro-4-hydroxyphenyl)imidazo[1,5-a]pyridin-8-yl]oxymethyl]azetidin-1-yl]but-2-en-1-one?
(E)-4-(dimethylamino)-1-[3-[[6-(3-fluoro-4-hydroxyphenyl)imidazo[1,5-a]pyridin-8-yl]oxymethyl]azetidin-1-yl]but-2-en-1-one has a molecular weight of 424.48 g/mol, XLogP of 2.80, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(dimethylamino)-1-[3-[[6-(3-fluoro-4-hydroxyphenyl)imidazo[1,5-a]pyridin-8-yl]oxymethyl]azetidin-1-yl]but-2-en-1-one is sourced from PubChem (CID 154605101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).