BET-BD2 Inhibitor GSK452

C19H21N5O2 — CID 164613009

IUPACN-ethyl-4-[(6-methyl-2-pyridinyl)methoxy]-3-(1-methyltriazol-4-yl)benzamide
SMILESCCNC(=O)C1=CC(=C(C=C1)OCC2=CC=CC(=N2)C)C3=CN(N=N3)C
InChIInChI=1S/C19H21N5O2/c1-4-20-19(25)14-8-9-18(16(10-14)17-11-24(3)23-22-17)26-12-15-7-5-6-13(2)21-15/h5-11H,4,12H2,1-3H3,(H,20,25)
InChIKeyBHUOTMULUBCHII-UHFFFAOYSA-N
MW351.40 g/mol
LogP1.80
Rot. Bonds6

About BET-BD2 Inhibitor GSK452

BET-BD2 Inhibitor GSK452 (PubChem CID 164613009) has the molecular formula C19H21N5O2 and a molecular weight of 351.40 g/mol. Its IUPAC name is N-ethyl-4-[(6-methyl-2-pyridinyl)methoxy]-3-(1-methyltriazol-4-yl)benzamide.

Molecular Properties

Compound NameBET-BD2 Inhibitor GSK452
PubChem CID164613009
Molecular FormulaC19H21N5O2
Molecular Weight351.40 g/mol
Exact Mass351.17
IUPAC NameN-ethyl-4-[(6-methyl-2-pyridinyl)methoxy]-3-(1-methyltriazol-4-yl)benzamide
SMILESCCNC(=O)C1=CC(=C(C=C1)OCC2=CC=CC(=N2)C)C3=CN(N=N3)C
InChIInChI=1S/C19H21N5O2/c1-4-20-19(25)14-8-9-18(16(10-14)17-11-24(3)23-22-17)26-12-15-7-5-6-13(2)21-15/h5-11H,4,12H2,1-3H3,(H,20,25)
InChIKeyBHUOTMULUBCHII-UHFFFAOYSA-N
XLogP1.80
TPSA81.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity463

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze BET-BD2 Inhibitor GSK452 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

N-ethyl-3-(1-methyltriazol-4-yl)-4-[(1S)-1-phenylethoxy]benzamide
CID 155818569
N-ethyl-3-(1-methyl-1H-1,2,3-triazol-4-yl)-4-(pyridin-2-ylmethoxy)benzamide
CID 155818570
5-(1-Methyl-1H-pyrazol-5-yl)-2-[(phenyl methyl)oxy]-N-3-pyridinylbenzamide
CID 67107000
N1,N1-Dimethyl-4-[(phenylmethyl)oxy]-N3-3-pyridinyl-1,3-benzenedicarboxamide
CID 69936757
5-(1-methylpyrazol-4-yl)-2-phenylmethoxy-N-pyridin-3-ylbenzamide
CID 69937003
N-methyl-4-[(4-methyl-2-pyridinyl)methoxy]-3-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)benzamide
CID 70665234
N-[2-methyl-5-(1,3,5-trimethylpyrazol-4-yl)phenyl]-4-(pyridin-2-ylmethoxy)benzamide
CID 70692760
Brd4-IN-8
CID 71616418
N-(5-((2S,5R,6S)-5-amino-6-fluorooxepan-2-yl)-1-methyl-1H-pyrazol-4-yl)-6-(2,6-difluoro-4-(2-methoxyethoxy)phenyl)-5-fluoropicolinamide
CID 73437751
N-(5-((2S,5R,6R)-5-Amino-6-fluorooxepan-2-yl)-1-methyl-1H-pyrazol-4-yl)-6-(2,6-difluoro-4-(2-methoxyethoxy)phenyl)-5-fluoropicolinamide
CID 73437754
N-(5-((2S,5R,6R)-5-Amino-6-fluorooxepan-2-yl)-1-methyl-1H-pyrazol-4-yl)-6-(2,6-difluoro-4-methoxyphenyl)-5-fluoropicolinamide
CID 73437807
N-(5-((2S,5R,6S)-5-amino-6-fluorooxepan-2-yl)-1-methyl-1H-pyrazol-4-yl)-6-(2,6-difluoro-4-methoxyphenyl)-5-fluoropicolinamide
CID 73438188

Frequently Asked Questions

What is the IUPAC name of BET-BD2 Inhibitor GSK452?
The IUPAC name of BET-BD2 Inhibitor GSK452 (CID 164613009) is N-ethyl-4-[(6-methyl-2-pyridinyl)methoxy]-3-(1-methyltriazol-4-yl)benzamide.
What is the SMILES notation for BET-BD2 Inhibitor GSK452?
The canonical SMILES for BET-BD2 Inhibitor GSK452 is CCNC(=O)C1=CC(=C(C=C1)OCC2=CC=CC(=N2)C)C3=CN(N=N3)C.
What is the InChIKey of BET-BD2 Inhibitor GSK452?
The InChIKey is BHUOTMULUBCHII-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-4-20-19(25)14-8-9-18(16(10-14)17-11-24(3)23-22-17)26-12-15-7-5-6-13(2)21-15/h5-11H,4,12H2,1-3H3,(H,20,25).
What are the key properties of BET-BD2 Inhibitor GSK452?
BET-BD2 Inhibitor GSK452 has a molecular weight of 351.40 g/mol, XLogP of 1.80, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for BET-BD2 Inhibitor GSK452 is sourced from PubChem (CID 164613009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).