4-[4-(6-amino-5-methoxy-3-pyridinyl)-2-(4-fluorophenyl)-1H-imidazol-5-yl]pyrimidin-2-amine;butane;thiohydroxylamine

C23H29FN8OS — CID 143864629

IUPAC4-[4-(6-amino-5-methoxy-3-pyridinyl)-2-(4-fluorophenyl)-1H-imidazol-5-yl]pyrimidin-2-amine;butane;thiohydroxylamine
SMILESCCCC.COc1cc(-c2nc(-c3ccc(F)cc3)[nH]c2-c2ccnc(N)n2)cnc1N.NS
InChIInChI=1S/C19H16FN7O.C4H10.H3NS/c1-28-14-8-11(9-24-17(14)21)15-16(13-6-7-23-19(22)25-13)27-18(26-15)10-2-4-12(20)5-3-10;1-3-4-2;1-2/h2-9H,1H3,(H2,21,24)(H,26,27)(H2,22,23,25);3-4H2,1-2H3;2H,1H2
InChIKeyRSSOFDPRSLZXCC-UHFFFAOYSA-N
MW484.61 g/mol
LogP4.50
Rot. Bonds5

About 4-[4-(6-amino-5-methoxy-3-pyridinyl)-2-(4-fluorophenyl)-1H-imidazol-5-yl]pyrimidin-2-amine;butane;thiohydroxylamine

4-[4-(6-amino-5-methoxy-3-pyridinyl)-2-(4-fluorophenyl)-1H-imidazol-5-yl]pyrimidin-2-amine;butane;thiohydroxylamine (PubChem CID 143864629) has the molecular formula C23H29FN8OS and a molecular weight of 484.61 g/mol. Its IUPAC name is 4-[4-(6-amino-5-methoxy-3-pyridinyl)-2-(4-fluorophenyl)-1H-imidazol-5-yl]pyrimidin-2-amine;butane;thiohydroxylamine.

Molecular Properties

Compound Name4-[4-(6-amino-5-methoxy-3-pyridinyl)-2-(4-fluorophenyl)-1H-imidazol-5-yl]pyrimidin-2-amine;butane;thiohydroxylamine
PubChem CID143864629
Molecular FormulaC23H29FN8OS
Molecular Weight484.61 g/mol
Exact Mass484.22
IUPAC Name4-[4-(6-amino-5-methoxy-3-pyridinyl)-2-(4-fluorophenyl)-1H-imidazol-5-yl]pyrimidin-2-amine;butane;thiohydroxylamine
SMILESCCCC.COc1cc(-c2nc(-c3ccc(F)cc3)[nH]c2-c2ccnc(N)n2)cnc1N.NS
InChIInChI=1S/C19H16FN7O.C4H10.H3NS/c1-28-14-8-11(9-24-17(14)21)15-16(13-6-7-23-19(22)25-13)27-18(26-15)10-2-4-12(20)5-3-10;1-3-4-2;1-2/h2-9H,1H3,(H2,21,24)(H,26,27)(H2,22,23,25);3-4H2,1-2H3;2H,1H2
InChIKeyRSSOFDPRSLZXCC-UHFFFAOYSA-N
XLogP4.50
TPSA154.64 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.61
LogP ≤ 54.50
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 4-[4-(6-amino-5-methoxy-3-pyridinyl)-2-(4-fluorophenyl)-1H-imidazol-5-yl]pyrimidin-2-amine;butane;thiohydroxylamine 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

5-[5-(2-amino-4-pyridinyl)-2-(4-fluorophenyl)-1H-imidazol-4-yl]-3-methoxypyridin-2-amine
CID 70970698
3-methoxy-5-[5-pyridin-2-yl-2-[4-(trifluoromethyl)phenyl]-1H-imidazol-4-yl]pyridin-2-amine
CID 66591071
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
N-[2-[[4-[4-(6-amino-5-methoxy-3-pyridinyl)-2-phenyl-1H-imidazol-5-yl]pyrimidin-2-yl]amino]ethyl]acetamide
CID 59137362
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
3-methoxy-5-[5-pyridin-4-yl-2-(3-pyridin-4-ylphenyl)-1H-imidazol-4-yl]pyridin-2-amine
CID 59137340
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
5-[2-(1H-indazol-5-yl)-5-pyridin-4-yl-1H-imidazol-4-yl]-3-methoxypyridin-2-amine
CID 59137327
5-[2-(4-fluorophenyl)-5-pyridin-4-yl-1,3-thiazol-4-yl]-3-methoxypyridin-2-amine
CID 59137545
2-amino-5-[2-(3-fluoro-4-methoxyphenyl)-5-pyridin-4-yl-1H-imidazol-4-yl]pyridin-3-ol
CID 143864771
5-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)-3-methoxypyridin-2-amine
CID 59137482
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

Frequently Asked Questions

What is the IUPAC name of 4-[4-(6-amino-5-methoxy-3-pyridinyl)-2-(4-fluorophenyl)-1H-imidazol-5-yl]pyrimidin-2-amine;butane;thiohydroxylamine?
The IUPAC name of 4-[4-(6-amino-5-methoxy-3-pyridinyl)-2-(4-fluorophenyl)-1H-imidazol-5-yl]pyrimidin-2-amine;butane;thiohydroxylamine (CID 143864629) is 4-[4-(6-amino-5-methoxy-3-pyridinyl)-2-(4-fluorophenyl)-1H-imidazol-5-yl]pyrimidin-2-amine;butane;thiohydroxylamine.
What is the SMILES notation for 4-[4-(6-amino-5-methoxy-3-pyridinyl)-2-(4-fluorophenyl)-1H-imidazol-5-yl]pyrimidin-2-amine;butane;thiohydroxylamine?
The canonical SMILES for 4-[4-(6-amino-5-methoxy-3-pyridinyl)-2-(4-fluorophenyl)-1H-imidazol-5-yl]pyrimidin-2-amine;butane;thiohydroxylamine is CCCC.COc1cc(-c2nc(-c3ccc(F)cc3)[nH]c2-c2ccnc(N)n2)cnc1N.NS.
What is the InChIKey of 4-[4-(6-amino-5-methoxy-3-pyridinyl)-2-(4-fluorophenyl)-1H-imidazol-5-yl]pyrimidin-2-amine;butane;thiohydroxylamine?
The InChIKey is RSSOFDPRSLZXCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN7O.C4H10.H3NS/c1-28-14-8-11(9-24-17(14)21)15-16(13-6-7-23-19(22)25-13)27-18(26-15)10-2-4-12(20)5-3-10;1-3-4-2;1-2/h2-9H,1H3,(H2,21,24)(H,26,27)(H2,22,23,25);3-4H2,1-2H3;2H,1H2.
What are the key properties of 4-[4-(6-amino-5-methoxy-3-pyridinyl)-2-(4-fluorophenyl)-1H-imidazol-5-yl]pyrimidin-2-amine;butane;thiohydroxylamine?
4-[4-(6-amino-5-methoxy-3-pyridinyl)-2-(4-fluorophenyl)-1H-imidazol-5-yl]pyrimidin-2-amine;butane;thiohydroxylamine has a molecular weight of 484.61 g/mol, XLogP of 4.50, 5 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(6-amino-5-methoxy-3-pyridinyl)-2-(4-fluorophenyl)-1H-imidazol-5-yl]pyrimidin-2-amine;butane;thiohydroxylamine is sourced from PubChem (CID 143864629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).