4-[3-[(2-amino-5-bromopyrimidin-4-yl)methoxy]-5-bromo-2-pyridinyl]-N-(3-ethylphenyl)piperazine-1-carboxamide

C23H25Br2N7O2 — CID 10438402

IUPAC4-[3-[(2-amino-5-bromopyrimidin-4-yl)methoxy]-5-bromo-2-pyridinyl]-N-(3-ethylphenyl)piperazine-1-carboxamide
SMILESCCc1cccc(NC(=O)N2CCN(c3ncc(Br)cc3OCc3nc(N)ncc3Br)CC2)c1
InChIInChI=1S/C23H25Br2N7O2/c1-2-15-4-3-5-17(10-15)29-23(33)32-8-6-31(7-9-32)21-20(11-16(24)12-27-21)34-14-19-18(25)13-28-22(26)30-19/h3-5,10-13H,2,6-9,14H2,1H3,(H,29,33)(H2,26,28,30)
InChIKeyAAOZPTXFMOIQBM-UHFFFAOYSA-N
MW591.31 g/mol
LogP4.47
Rot. Bonds6

About 4-[3-[(2-amino-5-bromopyrimidin-4-yl)methoxy]-5-bromo-2-pyridinyl]-N-(3-ethylphenyl)piperazine-1-carboxamide

4-[3-[(2-amino-5-bromopyrimidin-4-yl)methoxy]-5-bromo-2-pyridinyl]-N-(3-ethylphenyl)piperazine-1-carboxamide (PubChem CID 10438402) has the molecular formula C23H25Br2N7O2 and a molecular weight of 591.31 g/mol. Its IUPAC name is 4-[3-[(2-amino-5-bromopyrimidin-4-yl)methoxy]-5-bromo-2-pyridinyl]-N-(3-ethylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[3-[(2-amino-5-bromopyrimidin-4-yl)methoxy]-5-bromo-2-pyridinyl]-N-(3-ethylphenyl)piperazine-1-carboxamide
PubChem CID10438402
Molecular FormulaC23H25Br2N7O2
Molecular Weight591.31 g/mol
Exact Mass589.04
IUPAC Name4-[3-[(2-amino-5-bromopyrimidin-4-yl)methoxy]-5-bromo-2-pyridinyl]-N-(3-ethylphenyl)piperazine-1-carboxamide
SMILESCCc1cccc(NC(=O)N2CCN(c3ncc(Br)cc3OCc3nc(N)ncc3Br)CC2)c1
InChIInChI=1S/C23H25Br2N7O2/c1-2-15-4-3-5-17(10-15)29-23(33)32-8-6-31(7-9-32)21-20(11-16(24)12-27-21)34-14-19-18(25)13-28-22(26)30-19/h3-5,10-13H,2,6-9,14H2,1H3,(H,29,33)(H2,26,28,30)
InChIKeyAAOZPTXFMOIQBM-UHFFFAOYSA-N
XLogP4.47
TPSA109.50 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500591.31
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[3-[(2-amino-5-bromopyrimidin-4-yl)methoxy]-5-bromo-2-pyridinyl]-N-(3-ethylphenyl)piperazine-1-carboxamide 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

4-[2-amino-6-(4-chlorophenyl)pteridin-4-yl]-N-(3-ethylphenyl)piperazine-1-carboxamide
CID 110194603
N-[3-(ethoxymethyl)phenyl]-4-pyridin-2-ylpiperazine-1-carboxamide
CID 122131762
N-(3-ethylphenyl)thiomorpholine-4-carboxamide
CID 3537953
4-[4-[(2-aminopyrimidin-4-yl)methoxy]-1,2,5-thiadiazol-3-yl]-N-[3-ethyl-5-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 59013787
N-(3-ethylphenyl)-4-[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazine-1-carboxamide
CID 56919468
N-(3-ethylphenyl)-4-[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]piperazine-1-carboxamide
CID 56921079
N-(3-ethylphenyl)-4-[(3S)-3-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl]piperazine-1-carboxamide
CID 95106413
N-(3-ethylphenyl)-4-(3-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)piperazine-1-carboxamide
CID 53184245
N-(3-bromophenyl)-4-(2-ethyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)piperazine-1-carboxamide
CID 42799879
N-(3-chlorophenyl)-4-[5-[(4-chlorophenyl)methyl]-6-ethyl-2-methylpyrimidin-4-yl]piperazine-1-carboxamide
CID 42665265
N-(3-ethylphenyl)-4-[6-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperazine-1-carboxamide
CID 42802813
4-(2-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-(3-methoxyphenyl)piperazine-1-carboxamide
CID 42799982

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(2-amino-5-bromopyrimidin-4-yl)methoxy]-5-bromo-2-pyridinyl]-N-(3-ethylphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-[3-[(2-amino-5-bromopyrimidin-4-yl)methoxy]-5-bromo-2-pyridinyl]-N-(3-ethylphenyl)piperazine-1-carboxamide (CID 10438402) is 4-[3-[(2-amino-5-bromopyrimidin-4-yl)methoxy]-5-bromo-2-pyridinyl]-N-(3-ethylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-[3-[(2-amino-5-bromopyrimidin-4-yl)methoxy]-5-bromo-2-pyridinyl]-N-(3-ethylphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-[3-[(2-amino-5-bromopyrimidin-4-yl)methoxy]-5-bromo-2-pyridinyl]-N-(3-ethylphenyl)piperazine-1-carboxamide is CCc1cccc(NC(=O)N2CCN(c3ncc(Br)cc3OCc3nc(N)ncc3Br)CC2)c1.
What is the InChIKey of 4-[3-[(2-amino-5-bromopyrimidin-4-yl)methoxy]-5-bromo-2-pyridinyl]-N-(3-ethylphenyl)piperazine-1-carboxamide?
The InChIKey is AAOZPTXFMOIQBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25Br2N7O2/c1-2-15-4-3-5-17(10-15)29-23(33)32-8-6-31(7-9-32)21-20(11-16(24)12-27-21)34-14-19-18(25)13-28-22(26)30-19/h3-5,10-13H,2,6-9,14H2,1H3,(H,29,33)(H2,26,28,30).
What are the key properties of 4-[3-[(2-amino-5-bromopyrimidin-4-yl)methoxy]-5-bromo-2-pyridinyl]-N-(3-ethylphenyl)piperazine-1-carboxamide?
4-[3-[(2-amino-5-bromopyrimidin-4-yl)methoxy]-5-bromo-2-pyridinyl]-N-(3-ethylphenyl)piperazine-1-carboxamide has a molecular weight of 591.31 g/mol, XLogP of 4.47, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(2-amino-5-bromopyrimidin-4-yl)methoxy]-5-bromo-2-pyridinyl]-N-(3-ethylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 10438402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).