(E)-1-[2-(6-pyridin-4-ylimidazo[1,5-a]pyridin-1-yl)morpholin-4-yl]-3-thiophen-2-ylprop-2-en-1-one

C23H20N4O2S — CID 131687509

IUPAC(E)-1-[2-(6-pyridin-4-ylimidazo[1,5-a]pyridin-1-yl)morpholin-4-yl]-3-thiophen-2-ylprop-2-en-1-one
SMILESO=C(/C=C/c1cccs1)N1CCOC(c2ncn3cc(-c4ccncc4)ccc23)C1
InChIInChI=1S/C23H20N4O2S/c28-22(6-4-19-2-1-13-30-19)26-11-12-29-21(15-26)23-20-5-3-18(14-27(20)16-25-23)17-7-9-24-10-8-17/h1-10,13-14,16,21H,11-12,15H2/b6-4+
InChIKeyBPJXKHKRQBDMRC-GQCTYLIASA-N
MW416.51 g/mol
LogP4.07
Rot. Bonds4

About (E)-1-[2-(6-pyridin-4-ylimidazo[1,5-a]pyridin-1-yl)morpholin-4-yl]-3-thiophen-2-ylprop-2-en-1-one

(E)-1-[2-(6-pyridin-4-ylimidazo[1,5-a]pyridin-1-yl)morpholin-4-yl]-3-thiophen-2-ylprop-2-en-1-one (PubChem CID 131687509) has the molecular formula C23H20N4O2S and a molecular weight of 416.51 g/mol. Its IUPAC name is (E)-1-[2-(6-pyridin-4-ylimidazo[1,5-a]pyridin-1-yl)morpholin-4-yl]-3-thiophen-2-ylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-[2-(6-pyridin-4-ylimidazo[1,5-a]pyridin-1-yl)morpholin-4-yl]-3-thiophen-2-ylprop-2-en-1-one
PubChem CID131687509
Molecular FormulaC23H20N4O2S
Molecular Weight416.51 g/mol
Exact Mass416.13
IUPAC Name(E)-1-[2-(6-pyridin-4-ylimidazo[1,5-a]pyridin-1-yl)morpholin-4-yl]-3-thiophen-2-ylprop-2-en-1-one
SMILESO=C(/C=C/c1cccs1)N1CCOC(c2ncn3cc(-c4ccncc4)ccc23)C1
InChIInChI=1S/C23H20N4O2S/c28-22(6-4-19-2-1-13-30-19)26-11-12-29-21(15-26)23-20-5-3-18(14-27(20)16-25-23)17-7-9-24-10-8-17/h1-10,13-14,16,21H,11-12,15H2/b6-4+
InChIKeyBPJXKHKRQBDMRC-GQCTYLIASA-N
XLogP4.07
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.51
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (E)-1-[2-(6-pyridin-4-ylimidazo[1,5-a]pyridin-1-yl)morpholin-4-yl]-3-thiophen-2-ylprop-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

Related Compounds

2-(5-fluoro-2-pyridinyl)-1-[2-(6-pyridin-4-ylimidazo[1,5-a]pyridin-1-yl)morpholin-4-yl]ethanone
CID 131681880
2-[4-(3-thiophen-2-ylprop-2-enoyl)morpholin-2-yl]acetic acid
CID 77133331
1-[(3S)-3-hydroxypyrrolidin-1-yl]-3-thiophen-2-ylprop-2-en-1-one
CID 79029428
(E)-1-[(3R)-3-aminopyrrolidin-1-yl]-3-thiophen-2-ylprop-2-en-1-one
CID 81469045
1-[(E)-3-thiophen-2-ylprop-2-enoyl]pyrrolidine-3-carboxylic acid
CID 63007021
(E)-1-[3-(pyrimidin-2-ylamino)azetidin-1-yl]-3-thiophen-2-ylprop-2-en-1-one
CID 121187306
3-thiophen-2-yl-1-[4-(3-thiophen-2-ylprop-2-enoyl)-1,4-diazepan-1-yl]prop-2-en-1-one
CID 1000917
(E)-1-(4-hydroxypiperidin-1-yl)-3-thiophen-2-ylprop-2-en-1-one
CID 43415934
(E)-1-(3-methylsulfanylpyrrolidin-1-yl)-3-thiophen-2-ylprop-2-en-1-one
CID 72717820
(E)-1-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]-3-thiophen-2-ylprop-2-en-1-one
CID 47035127
(3R)-N-(1,3-thiazol-2-yl)-1-[(E)-3-thiophen-2-ylprop-2-enoyl]piperidine-3-carboxamide
CID 94131967
(E)-1-[(1S,5R)-3,7-diazabicyclo[3.3.1]nonan-3-yl]-3-thiophen-2-ylprop-2-en-1-one
CID 72696380

Frequently Asked Questions

What is the IUPAC name of (E)-1-[2-(6-pyridin-4-ylimidazo[1,5-a]pyridin-1-yl)morpholin-4-yl]-3-thiophen-2-ylprop-2-en-1-one?
The IUPAC name of (E)-1-[2-(6-pyridin-4-ylimidazo[1,5-a]pyridin-1-yl)morpholin-4-yl]-3-thiophen-2-ylprop-2-en-1-one (CID 131687509) is (E)-1-[2-(6-pyridin-4-ylimidazo[1,5-a]pyridin-1-yl)morpholin-4-yl]-3-thiophen-2-ylprop-2-en-1-one.
What is the SMILES notation for (E)-1-[2-(6-pyridin-4-ylimidazo[1,5-a]pyridin-1-yl)morpholin-4-yl]-3-thiophen-2-ylprop-2-en-1-one?
The canonical SMILES for (E)-1-[2-(6-pyridin-4-ylimidazo[1,5-a]pyridin-1-yl)morpholin-4-yl]-3-thiophen-2-ylprop-2-en-1-one is O=C(/C=C/c1cccs1)N1CCOC(c2ncn3cc(-c4ccncc4)ccc23)C1.
What is the InChIKey of (E)-1-[2-(6-pyridin-4-ylimidazo[1,5-a]pyridin-1-yl)morpholin-4-yl]-3-thiophen-2-ylprop-2-en-1-one?
The InChIKey is BPJXKHKRQBDMRC-GQCTYLIASA-N. The full InChI is InChI=1S/C23H20N4O2S/c28-22(6-4-19-2-1-13-30-19)26-11-12-29-21(15-26)23-20-5-3-18(14-27(20)16-25-23)17-7-9-24-10-8-17/h1-10,13-14,16,21H,11-12,15H2/b6-4+.
What are the key properties of (E)-1-[2-(6-pyridin-4-ylimidazo[1,5-a]pyridin-1-yl)morpholin-4-yl]-3-thiophen-2-ylprop-2-en-1-one?
(E)-1-[2-(6-pyridin-4-ylimidazo[1,5-a]pyridin-1-yl)morpholin-4-yl]-3-thiophen-2-ylprop-2-en-1-one has a molecular weight of 416.51 g/mol, XLogP of 4.07, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[2-(6-pyridin-4-ylimidazo[1,5-a]pyridin-1-yl)morpholin-4-yl]-3-thiophen-2-ylprop-2-en-1-one is sourced from PubChem (CID 131687509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).