5-[5-(2-amino-4-pyridinyl)-2-(4-fluorophenyl)-1H-imidazol-4-yl]-3-methoxypyridin-2-amine

C20H17FN6O — CID 70970698

IUPAC5-[5-(2-amino-4-pyridinyl)-2-(4-fluorophenyl)-1H-imidazol-4-yl]-3-methoxypyridin-2-amine
SMILESCOc1cc(-c2nc(-c3ccc(F)cc3)[nH]c2-c2ccnc(N)c2)cnc1N
InChIInChI=1S/C20H17FN6O/c1-28-15-8-13(10-25-19(15)23)18-17(12-6-7-24-16(22)9-12)26-20(27-18)11-2-4-14(21)5-3-11/h2-10H,1H3,(H2,22,24)(H2,23,25)(H,26,27)
InChIKeyQOPOANQVAFFKQL-UHFFFAOYSA-N
MW376.40 g/mol
LogP3.51
Rot. Bonds4

About 5-[5-(2-amino-4-pyridinyl)-2-(4-fluorophenyl)-1H-imidazol-4-yl]-3-methoxypyridin-2-amine

5-[5-(2-amino-4-pyridinyl)-2-(4-fluorophenyl)-1H-imidazol-4-yl]-3-methoxypyridin-2-amine (PubChem CID 70970698) has the molecular formula C20H17FN6O and a molecular weight of 376.40 g/mol. Its IUPAC name is 5-[5-(2-amino-4-pyridinyl)-2-(4-fluorophenyl)-1H-imidazol-4-yl]-3-methoxypyridin-2-amine.

Molecular Properties

Compound Name5-[5-(2-amino-4-pyridinyl)-2-(4-fluorophenyl)-1H-imidazol-4-yl]-3-methoxypyridin-2-amine
PubChem CID70970698
Molecular FormulaC20H17FN6O
Molecular Weight376.40 g/mol
Exact Mass376.14
IUPAC Name5-[5-(2-amino-4-pyridinyl)-2-(4-fluorophenyl)-1H-imidazol-4-yl]-3-methoxypyridin-2-amine
SMILESCOc1cc(-c2nc(-c3ccc(F)cc3)[nH]c2-c2ccnc(N)c2)cnc1N
InChIInChI=1S/C20H17FN6O/c1-28-15-8-13(10-25-19(15)23)18-17(12-6-7-24-16(22)9-12)26-20(27-18)11-2-4-14(21)5-3-11/h2-10H,1H3,(H2,22,24)(H2,23,25)(H,26,27)
InChIKeyQOPOANQVAFFKQL-UHFFFAOYSA-N
XLogP3.51
TPSA115.73 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.40
LogP ≤ 53.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

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-4-yl-2-(3-pyridin-4-ylphenyl)-1H-imidazol-4-yl]pyridin-2-amine
CID 59137340
5-[2-(1H-indazol-5-yl)-5-pyridin-4-yl-1H-imidazol-4-yl]-3-methoxypyridin-2-amine
CID 59137327
3-methoxy-5-[5-pyridin-2-yl-2-[4-(trifluoromethyl)phenyl]-1H-imidazol-4-yl]pyridin-2-amine
CID 66591071
2-amino-5-[2-(3-fluoro-4-methoxyphenyl)-5-pyridin-4-yl-1H-imidazol-4-yl]pyridin-3-ol
CID 143864771
5-[2-(4-fluorophenyl)-5-pyridin-4-yl-1,3-thiazol-4-yl]-3-methoxypyridin-2-amine
CID 59137545
5-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)-3-methoxypyridin-2-amine
CID 59137482
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
4-[5-(4-fluorophenyl)-2-methylsulfinyl-1H-imidazol-4-yl]pyridin-2-amine
CID 154699548
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
5-(4-fluorophenyl)-4-methoxypyridin-2-amine
CID 171390992

Frequently Asked Questions

What is the IUPAC name of 5-[5-(2-amino-4-pyridinyl)-2-(4-fluorophenyl)-1H-imidazol-4-yl]-3-methoxypyridin-2-amine?
The IUPAC name of 5-[5-(2-amino-4-pyridinyl)-2-(4-fluorophenyl)-1H-imidazol-4-yl]-3-methoxypyridin-2-amine (CID 70970698) is 5-[5-(2-amino-4-pyridinyl)-2-(4-fluorophenyl)-1H-imidazol-4-yl]-3-methoxypyridin-2-amine.
What is the SMILES notation for 5-[5-(2-amino-4-pyridinyl)-2-(4-fluorophenyl)-1H-imidazol-4-yl]-3-methoxypyridin-2-amine?
The canonical SMILES for 5-[5-(2-amino-4-pyridinyl)-2-(4-fluorophenyl)-1H-imidazol-4-yl]-3-methoxypyridin-2-amine is COc1cc(-c2nc(-c3ccc(F)cc3)[nH]c2-c2ccnc(N)c2)cnc1N.
What is the InChIKey of 5-[5-(2-amino-4-pyridinyl)-2-(4-fluorophenyl)-1H-imidazol-4-yl]-3-methoxypyridin-2-amine?
The InChIKey is QOPOANQVAFFKQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN6O/c1-28-15-8-13(10-25-19(15)23)18-17(12-6-7-24-16(22)9-12)26-20(27-18)11-2-4-14(21)5-3-11/h2-10H,1H3,(H2,22,24)(H2,23,25)(H,26,27).
What are the key properties of 5-[5-(2-amino-4-pyridinyl)-2-(4-fluorophenyl)-1H-imidazol-4-yl]-3-methoxypyridin-2-amine?
5-[5-(2-amino-4-pyridinyl)-2-(4-fluorophenyl)-1H-imidazol-4-yl]-3-methoxypyridin-2-amine has a molecular weight of 376.40 g/mol, XLogP of 3.51, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(2-amino-4-pyridinyl)-2-(4-fluorophenyl)-1H-imidazol-4-yl]-3-methoxypyridin-2-amine is sourced from PubChem (CID 70970698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).