2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one;2-amino-5-[4-(fluoromethyl)-2-pyridinyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one;2-amino-5-[5-(fluoromethyl)-2-pyridinyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one;2-amino-5-[5-(fluoromethyl)-3-pyridinyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one;2-amino-5-[6-(fluoromethyl)-2-pyridinyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one;2-amino-5-[6-(fluoromethyl)-3-pyridinyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one

C120H102F6N36O6 — CID 159746798

IUPAC2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one;2-amino-5-[4-(fluoromethyl)-2-pyridinyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one;2-amino-5-[5-(fluoromethyl)-2-pyridinyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one;2-amino-5-[5-(fluoromethyl)-3-pyridinyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one;2-amino-5-[6-(fluoromethyl)-2-pyridinyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one;2-amino-5-[6-(fluoromethyl)-3-pyridinyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one
SMILESCN1C(=O)C(c2ccc(CF)nc2)(c2cccc(-c3cncnc3)c2)N=C1N.CN1C(=O)C(c2cccc(-c3cncnc3)c2)(c2cc(CF)ccn2)N=C1N.CN1C(=O)C(c2cccc(-c3cncnc3)c2)(c2ccc(CF)cn2)N=C1N.CN1C(=O)C(c2cccc(-c3cncnc3)c2)(c2cccc(CF)n2)N=C1N.CN1C(=O)C(c2cccc(-c3cncnc3)c2)(c2ccnc(CF)c2)N=C1N.CN1C(=O)C(c2cncc(CF)c2)(c2cccc(-c3cncnc3)c2)N=C1N
InChIInChI=1S/6C20H17FN6O/c1-27-18(28)20(26-19(27)22,17-7-3-6-16(9-21)25-17)15-5-2-4-13(8-15)14-10-23-12-24-11-14;1-27-18(28)20(26-19(27)22,17-5-13(7-21)8-23-11-17)16-4-2-3-14(6-16)15-9-24-12-25-10-15;1-27-18(28)20(26-19(27)22,17-6-5-13(8-21)9-25-17)16-4-2-3-14(7-16)15-10-23-12-24-11-15;1-27-18(28)20(26-19(27)22,17-7-13(9-21)5-6-25-17)16-4-2-3-14(8-16)15-10-23-12-24-11-15;1-27-18(28)20(26-19(27)22,16-5-6-25-17(8-16)9-21)15-4-2-3-13(7-15)14-10-23-12-24-11-14;1-27-18(28)20(26-19(27)22,16-5-6-17(8-21)25-11-16)15-4-2-3-13(7-15)14-9-23-12-24-10-14/h2-8,10-12H,9H2,1H3,(H2,22,26);2-6,8-12H,7H2,1H3,(H2,22,26);2-7,9-12H,8H2,1H3,(H2,22,26);2*2-8,10-12H,9H2,1H3,(H2,22,26);2-7,9-12H,8H2,1H3,(H2,22,26)
InChIKeyNDDGOMBZWPTOBM-UHFFFAOYSA-N
MW2258.37 g/mol
LogP12.23
Rot. Bonds24

About 2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one;2-amino-5-[4-(fluoromethyl)-2-pyridinyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one;2-amino-5-[5-(fluoromethyl)-2-pyridinyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one;2-amino-5-[5-(fluoromethyl)-3-pyridinyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one;2-amino-5-[6-(fluoromethyl)-2-pyridinyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one;2-amino-5-[6-(fluoromethyl)-3-pyridinyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one

2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one;2-amino-5-[4-(fluoromethyl)-2-pyridinyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one;2-amino-5-[5-(fluoromethyl)-2-pyridinyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one;2-amino-5-[5-(fluoromethyl)-3-pyridinyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one;2-amino-5-[6-(fluoromethyl)-2-pyridinyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one;2-amino-5-[6-(fluoromethyl)-3-pyridinyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one (PubChem CID 159746798) has the molecular formula C120H102F6N36O6 and a molecular weight of 2258.37 g/mol. Its IUPAC name is 2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one;2-amino-5-[4-(fluoromethyl)-2-pyridinyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one;2-amino-5-[5-(fluoromethyl)-2-pyridinyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one;2-amino-5-[5-(fluoromethyl)-3-pyridinyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one;2-amino-5-[6-(fluoromethyl)-2-pyridinyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one;2-amino-5-[6-(fluoromethyl)-3-pyridinyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one.

Molecular Properties

Compound Name2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one;2-amino-5-[4-(fluoromethyl)-2-pyridinyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one;2-amino-5-[5-(fluoromethyl)-2-pyridinyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one;2-amino-5-[5-(fluoromethyl)-3-pyridinyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one;2-amino-5-[6-(fluoromethyl)-2-pyridinyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one;2-amino-5-[6-(fluoromethyl)-3-pyridinyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one
PubChem CID159746798
Molecular FormulaC120H102F6N36O6
Molecular Weight2258.37 g/mol
Exact Mass2256.87
IUPAC Name2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one;2-amino-5-[4-(fluoromethyl)-2-pyridinyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one;2-amino-5-[5-(fluoromethyl)-2-pyridinyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one;2-amino-5-[5-(fluoromethyl)-3-pyridinyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one;2-amino-5-[6-(fluoromethyl)-2-pyridinyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one;2-amino-5-[6-(fluoromethyl)-3-pyridinyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one
SMILESCN1C(=O)C(c2ccc(CF)nc2)(c2cccc(-c3cncnc3)c2)N=C1N.CN1C(=O)C(c2cccc(-c3cncnc3)c2)(c2cc(CF)ccn2)N=C1N.CN1C(=O)C(c2cccc(-c3cncnc3)c2)(c2ccc(CF)cn2)N=C1N.CN1C(=O)C(c2cccc(-c3cncnc3)c2)(c2cccc(CF)n2)N=C1N.CN1C(=O)C(c2cccc(-c3cncnc3)c2)(c2ccnc(CF)c2)N=C1N.CN1C(=O)C(c2cncc(CF)c2)(c2cccc(-c3cncnc3)c2)N=C1N
InChIInChI=1S/6C20H17FN6O/c1-27-18(28)20(26-19(27)22,17-7-3-6-16(9-21)25-17)15-5-2-4-13(8-15)14-10-23-12-24-11-14;1-27-18(28)20(26-19(27)22,17-5-13(7-21)8-23-11-17)16-4-2-3-14(6-16)15-9-24-12-25-10-15;1-27-18(28)20(26-19(27)22,17-6-5-13(8-21)9-25-17)16-4-2-3-14(7-16)15-10-23-12-24-11-15;1-27-18(28)20(26-19(27)22,17-7-13(9-21)5-6-25-17)16-4-2-3-14(8-16)15-10-23-12-24-11-15;1-27-18(28)20(26-19(27)22,16-5-6-25-17(8-16)9-21)15-4-2-3-13(7-15)14-10-23-12-24-11-14;1-27-18(28)20(26-19(27)22,16-5-6-17(8-21)25-11-16)15-4-2-3-13(7-15)14-9-23-12-24-10-14/h2-8,10-12H,9H2,1H3,(H2,22,26);2-6,8-12H,7H2,1H3,(H2,22,26);2-7,9-12H,8H2,1H3,(H2,22,26);2*2-8,10-12H,9H2,1H3,(H2,22,26);2-7,9-12H,8H2,1H3,(H2,22,26)
InChIKeyNDDGOMBZWPTOBM-UHFFFAOYSA-N
XLogP12.23
TPSA584.16 Ų
H-Bond Donors6
H-Bond Acceptors36
Rotatable Bonds24
Heavy Atoms168
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002258.37
LogP ≤ 512.23
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1036

Analyze 2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one;2-amino-5-[4-(fluoromethyl)-2-pyridinyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one;2-amino-5-[5-(fluoromethyl)-2-pyridinyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one;2-amino-5-[5-(fluoromethyl)-3-pyridinyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one;2-amino-5-[6-(fluoromethyl)-2-pyridinyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one;2-amino-5-[6-(fluoromethyl)-3-pyridinyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one;2-amino-5-[4-(fluoromethyl)-2-pyridinyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one;2-amino-5-[5-(fluoromethyl)-2-pyridinyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one;2-amino-5-[5-(fluoromethyl)-3-pyridinyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one;2-amino-5-[6-(fluoromethyl)-2-pyridinyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one;2-amino-5-[6-(fluoromethyl)-3-pyridinyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one?
The IUPAC name of 2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one;2-amino-5-[4-(fluoromethyl)-2-pyridinyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one;2-amino-5-[5-(fluoromethyl)-2-pyridinyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one;2-amino-5-[5-(fluoromethyl)-3-pyridinyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one;2-amino-5-[6-(fluoromethyl)-2-pyridinyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one;2-amino-5-[6-(fluoromethyl)-3-pyridinyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one (CID 159746798) is 2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one;2-amino-5-[4-(fluoromethyl)-2-pyridinyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one;2-amino-5-[5-(fluoromethyl)-2-pyridinyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one;2-amino-5-[5-(fluoromethyl)-3-pyridinyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one;2-amino-5-[6-(fluoromethyl)-2-pyridinyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one;2-amino-5-[6-(fluoromethyl)-3-pyridinyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one.
What is the SMILES notation for 2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one;2-amino-5-[4-(fluoromethyl)-2-pyridinyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one;2-amino-5-[5-(fluoromethyl)-2-pyridinyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one;2-amino-5-[5-(fluoromethyl)-3-pyridinyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one;2-amino-5-[6-(fluoromethyl)-2-pyridinyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one;2-amino-5-[6-(fluoromethyl)-3-pyridinyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one?
The canonical SMILES for 2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one;2-amino-5-[4-(fluoromethyl)-2-pyridinyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one;2-amino-5-[5-(fluoromethyl)-2-pyridinyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one;2-amino-5-[5-(fluoromethyl)-3-pyridinyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one;2-amino-5-[6-(fluoromethyl)-2-pyridinyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one;2-amino-5-[6-(fluoromethyl)-3-pyridinyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one is CN1C(=O)C(c2ccc(CF)nc2)(c2cccc(-c3cncnc3)c2)N=C1N.CN1C(=O)C(c2cccc(-c3cncnc3)c2)(c2cc(CF)ccn2)N=C1N.CN1C(=O)C(c2cccc(-c3cncnc3)c2)(c2ccc(CF)cn2)N=C1N.CN1C(=O)C(c2cccc(-c3cncnc3)c2)(c2cccc(CF)n2)N=C1N.CN1C(=O)C(c2cccc(-c3cncnc3)c2)(c2ccnc(CF)c2)N=C1N.CN1C(=O)C(c2cncc(CF)c2)(c2cccc(-c3cncnc3)c2)N=C1N.
What is the InChIKey of 2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one;2-amino-5-[4-(fluoromethyl)-2-pyridinyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one;2-amino-5-[5-(fluoromethyl)-2-pyridinyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one;2-amino-5-[5-(fluoromethyl)-3-pyridinyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one;2-amino-5-[6-(fluoromethyl)-2-pyridinyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one;2-amino-5-[6-(fluoromethyl)-3-pyridinyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one?
The InChIKey is NDDGOMBZWPTOBM-UHFFFAOYSA-N. The full InChI is InChI=1S/6C20H17FN6O/c1-27-18(28)20(26-19(27)22,17-7-3-6-16(9-21)25-17)15-5-2-4-13(8-15)14-10-23-12-24-11-14;1-27-18(28)20(26-19(27)22,17-5-13(7-21)8-23-11-17)16-4-2-3-14(6-16)15-9-24-12-25-10-15;1-27-18(28)20(26-19(27)22,17-6-5-13(8-21)9-25-17)16-4-2-3-14(7-16)15-10-23-12-24-11-15;1-27-18(28)20(26-19(27)22,17-7-13(9-21)5-6-25-17)16-4-2-3-14(8-16)15-10-23-12-24-11-15;1-27-18(28)20(26-19(27)22,16-5-6-25-17(8-16)9-21)15-4-2-3-13(7-15)14-10-23-12-24-11-14;1-27-18(28)20(26-19(27)22,16-5-6-17(8-21)25-11-16)15-4-2-3-13(7-15)14-9-23-12-24-10-14/h2-8,10-12H,9H2,1H3,(H2,22,26);2-6,8-12H,7H2,1H3,(H2,22,26);2-7,9-12H,8H2,1H3,(H2,22,26);2*2-8,10-12H,9H2,1H3,(H2,22,26);2-7,9-12H,8H2,1H3,(H2,22,26).
What are the key properties of 2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one;2-amino-5-[4-(fluoromethyl)-2-pyridinyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one;2-amino-5-[5-(fluoromethyl)-2-pyridinyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one;2-amino-5-[5-(fluoromethyl)-3-pyridinyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one;2-amino-5-[6-(fluoromethyl)-2-pyridinyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one;2-amino-5-[6-(fluoromethyl)-3-pyridinyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one?
2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one;2-amino-5-[4-(fluoromethyl)-2-pyridinyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one;2-amino-5-[5-(fluoromethyl)-2-pyridinyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one;2-amino-5-[5-(fluoromethyl)-3-pyridinyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one;2-amino-5-[6-(fluoromethyl)-2-pyridinyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one;2-amino-5-[6-(fluoromethyl)-3-pyridinyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one has a molecular weight of 2258.37 g/mol, XLogP of 12.23, 24 rotatable bonds, 6 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one;2-amino-5-[4-(fluoromethyl)-2-pyridinyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one;2-amino-5-[5-(fluoromethyl)-2-pyridinyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one;2-amino-5-[5-(fluoromethyl)-3-pyridinyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one;2-amino-5-[6-(fluoromethyl)-2-pyridinyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one;2-amino-5-[6-(fluoromethyl)-3-pyridinyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one is sourced from PubChem (CID 159746798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).