N-[2-[[4-[4-(6-amino-5-methoxy-3-pyridinyl)-2-phenyl-1H-imidazol-5-yl]pyrimidin-2-yl]amino]ethyl]acetamide

C23H24N8O2 — CID 59137362

IUPACN-[2-[[4-[4-(6-amino-5-methoxy-3-pyridinyl)-2-phenyl-1H-imidazol-5-yl]pyrimidin-2-yl]amino]ethyl]acetamide
SMILESCOc1cc(-c2nc(-c3ccccc3)[nH]c2-c2ccnc(NCCNC(C)=O)n2)cnc1N
InChIInChI=1S/C23H24N8O2/c1-14(32)25-10-11-27-23-26-9-8-17(29-23)20-19(16-12-18(33-2)21(24)28-13-16)30-22(31-20)15-6-4-3-5-7-15/h3-9,12-13H,10-11H2,1-2H3,(H2,24,28)(H,25,32)(H,30,31)(H,26,27,29)
InChIKeyFXOKGEXFYLYXSN-UHFFFAOYSA-N
MW444.50 g/mol
LogP2.73
Rot. Bonds8

About N-[2-[[4-[4-(6-amino-5-methoxy-3-pyridinyl)-2-phenyl-1H-imidazol-5-yl]pyrimidin-2-yl]amino]ethyl]acetamide

N-[2-[[4-[4-(6-amino-5-methoxy-3-pyridinyl)-2-phenyl-1H-imidazol-5-yl]pyrimidin-2-yl]amino]ethyl]acetamide (PubChem CID 59137362) has the molecular formula C23H24N8O2 and a molecular weight of 444.50 g/mol. Its IUPAC name is N-[2-[[4-[4-(6-amino-5-methoxy-3-pyridinyl)-2-phenyl-1H-imidazol-5-yl]pyrimidin-2-yl]amino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[[4-[4-(6-amino-5-methoxy-3-pyridinyl)-2-phenyl-1H-imidazol-5-yl]pyrimidin-2-yl]amino]ethyl]acetamide
PubChem CID59137362
Molecular FormulaC23H24N8O2
Molecular Weight444.50 g/mol
Exact Mass444.20
IUPAC NameN-[2-[[4-[4-(6-amino-5-methoxy-3-pyridinyl)-2-phenyl-1H-imidazol-5-yl]pyrimidin-2-yl]amino]ethyl]acetamide
SMILESCOc1cc(-c2nc(-c3ccccc3)[nH]c2-c2ccnc(NCCNC(C)=O)n2)cnc1N
InChIInChI=1S/C23H24N8O2/c1-14(32)25-10-11-27-23-26-9-8-17(29-23)20-19(16-12-18(33-2)21(24)28-13-16)30-22(31-20)15-6-4-3-5-7-15/h3-9,12-13H,10-11H2,1-2H3,(H2,24,28)(H,25,32)(H,30,31)(H,26,27,29)
InChIKeyFXOKGEXFYLYXSN-UHFFFAOYSA-N
XLogP2.73
TPSA143.73 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.50
LogP ≤ 52.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[4-(6-amino-5-methoxy-3-pyridinyl)-2-phenyl-1H-imidazol-5-yl]pyrimidin-2-yl]-N'-butan-2-ylsulfanylethane-1,2-diamine
CID 143864617
N-[2-[[4-[4-(6-amino-5-hydroxy-3-pyridinyl)-2-[4-(aminomethyl)phenyl]-1H-imidazol-5-yl]pyrimidin-2-yl]amino]ethyl]-2-methoxyacetamide
CID 143864714
1-[3-[[4-[4-(6-amino-5-methoxy-3-pyridinyl)-2-(4-fluorophenyl)-1H-imidazol-5-yl]pyrimidin-2-yl]amino]pyrrolidin-1-yl]ethanone
CID 66591307
(2R)-N-[(2S)-2-[[4-[4-(6-amino-5-methoxy-3-pyridinyl)-2-tert-butyl-1H-imidazol-5-yl]pyrimidin-2-yl]amino]propyl]-2-methoxypropanamide
CID 59137408
(2S)-N-[(2S)-1-[[4-[4-(6-amino-5-methoxy-3-pyridinyl)-2-tert-butyl-1H-imidazol-5-yl]pyrimidin-2-yl]amino]propan-2-yl]-2-methoxypropanamide
CID 59137334
1-[1-[[4-[4-(6-amino-5-methoxy-3-pyridinyl)-2-tert-butyl-1H-imidazol-5-yl]pyrimidin-2-yl]amino]propan-2-yl]-3-methylurea
CID 66591456
4-[4-(6-amino-5-methoxy-3-pyridinyl)-2-tert-butyl-1H-imidazol-5-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine
CID 59137504
4-[4-(6-amino-5-methoxy-3-pyridinyl)-2-(4-fluorophenyl)-1H-imidazol-5-yl]pyrimidin-2-amine;butane;thiohydroxylamine
CID 143864629
3-methoxy-5-[5-pyridin-2-yl-2-[4-(trifluoromethyl)phenyl]-1H-imidazol-4-yl]pyridin-2-amine
CID 66591071
3-methoxy-5-[5-pyridin-4-yl-2-(3-pyridin-4-ylphenyl)-1H-imidazol-4-yl]pyridin-2-amine
CID 59137340
5-[5-(2-amino-4-pyridinyl)-2-(4-fluorophenyl)-1H-imidazol-4-yl]-3-methoxypyridin-2-amine
CID 70970698
4-[3-(6-amino-5-methoxy-3-pyridinyl)-1-propan-2-ylpyrazol-4-yl]-N-propylpyrimidin-2-amine
CID 143753859

Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-[4-(6-amino-5-methoxy-3-pyridinyl)-2-phenyl-1H-imidazol-5-yl]pyrimidin-2-yl]amino]ethyl]acetamide?
The IUPAC name of N-[2-[[4-[4-(6-amino-5-methoxy-3-pyridinyl)-2-phenyl-1H-imidazol-5-yl]pyrimidin-2-yl]amino]ethyl]acetamide (CID 59137362) is N-[2-[[4-[4-(6-amino-5-methoxy-3-pyridinyl)-2-phenyl-1H-imidazol-5-yl]pyrimidin-2-yl]amino]ethyl]acetamide.
What is the SMILES notation for N-[2-[[4-[4-(6-amino-5-methoxy-3-pyridinyl)-2-phenyl-1H-imidazol-5-yl]pyrimidin-2-yl]amino]ethyl]acetamide?
The canonical SMILES for N-[2-[[4-[4-(6-amino-5-methoxy-3-pyridinyl)-2-phenyl-1H-imidazol-5-yl]pyrimidin-2-yl]amino]ethyl]acetamide is COc1cc(-c2nc(-c3ccccc3)[nH]c2-c2ccnc(NCCNC(C)=O)n2)cnc1N.
What is the InChIKey of N-[2-[[4-[4-(6-amino-5-methoxy-3-pyridinyl)-2-phenyl-1H-imidazol-5-yl]pyrimidin-2-yl]amino]ethyl]acetamide?
The InChIKey is FXOKGEXFYLYXSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N8O2/c1-14(32)25-10-11-27-23-26-9-8-17(29-23)20-19(16-12-18(33-2)21(24)28-13-16)30-22(31-20)15-6-4-3-5-7-15/h3-9,12-13H,10-11H2,1-2H3,(H2,24,28)(H,25,32)(H,30,31)(H,26,27,29).
What are the key properties of N-[2-[[4-[4-(6-amino-5-methoxy-3-pyridinyl)-2-phenyl-1H-imidazol-5-yl]pyrimidin-2-yl]amino]ethyl]acetamide?
N-[2-[[4-[4-(6-amino-5-methoxy-3-pyridinyl)-2-phenyl-1H-imidazol-5-yl]pyrimidin-2-yl]amino]ethyl]acetamide has a molecular weight of 444.50 g/mol, XLogP of 2.73, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-[4-(6-amino-5-methoxy-3-pyridinyl)-2-phenyl-1H-imidazol-5-yl]pyrimidin-2-yl]amino]ethyl]acetamide is sourced from PubChem (CID 59137362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).