tris(4-(3-fluoro-4-isocyanophenyl)-5-(4-methoxyphenyl)-2-(4-methylpiperidin-1-yl)-1H-pyrimidin-6-one);6-(3-fluoro-4-isocyanophenyl)-5-(6-methoxy-3-pyridinyl)-3-methyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-one;6-(3-fluoro-4-isocyanophenyl)-3-methyl-2-(4-methylpiperidin-1-yl)-5-(6-methyl-3-pyridinyl)pyrimidin-4-one;6-(4-isocyanophenyl)-3-methyl-2-(4-methylpiperidin-1-yl)-5-(6-methyl-3-pyridinyl)pyrimidin-4-one

C144H142F5N27O10 — CID 157405655

IUPACtris(4-(3-fluoro-4-isocyanophenyl)-5-(4-methoxyphenyl)-2-(4-methylpiperidin-1-yl)-1H-pyrimidin-6-one);6-(3-fluoro-4-isocyanophenyl)-5-(6-methoxy-3-pyridinyl)-3-methyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-one;6-(3-fluoro-4-isocyanophenyl)-3-methyl-2-(4-methylpiperidin-1-yl)-5-(6-methyl-3-pyridinyl)pyrimidin-4-one;6-(4-isocyanophenyl)-3-methyl-2-(4-methylpiperidin-1-yl)-5-(6-methyl-3-pyridinyl)pyrimidin-4-one
SMILES[C-]#[N+]c1ccc(-c2nc(N3CCC(C)CC3)[nH]c(=O)c2-c2ccc(OC)cc2)cc1F.[C-]#[N+]c1ccc(-c2nc(N3CCC(C)CC3)[nH]c(=O)c2-c2ccc(OC)cc2)cc1F.[C-]#[N+]c1ccc(-c2nc(N3CCC(C)CC3)[nH]c(=O)c2-c2ccc(OC)cc2)cc1F.[C-]#[N+]c1ccc(-c2nc(N3CCC(C)CC3)n(C)c(=O)c2-c2ccc(C)nc2)cc1.[C-]#[N+]c1ccc(-c2nc(N3CCC(C)CC3)n(C)c(=O)c2-c2ccc(C)nc2)cc1F.[C-]#[N+]c1ccc(-c2nc(N3CCC(C)CC3)n(C)c(=O)c2-c2ccc(OC)nc2)cc1F
InChIInChI=1S/C24H24FN5O2.C24H24FN5O.3C24H23FN4O2.C24H25N5O/c1-15-9-11-30(12-10-15)24-28-22(16-5-7-19(26-2)18(25)13-16)21(23(31)29(24)3)17-6-8-20(32-4)27-14-17;1-15-9-11-30(12-10-15)24-28-22(17-7-8-20(26-3)19(25)13-17)21(23(31)29(24)4)18-6-5-16(2)27-14-18;3*1-15-10-12-29(13-11-15)24-27-22(17-6-9-20(26-2)19(25)14-17)21(23(30)28-24)16-4-7-18(31-3)8-5-16;1-16-11-13-29(14-12-16)24-27-22(18-7-9-20(25-3)10-8-18)21(23(30)28(24)4)19-6-5-17(2)26-15-19/h5-8,13-15H,9-12H2,1,3-4H3;5-8,13-15H,9-12H2,1-2,4H3;3*4-9,14-15H,10-13H2,1,3H3,(H,27,28,30);5-10,15-16H,11-14H2,1-2,4H3
InChIKeyBNRMEWGUPFIPJT-UHFFFAOYSA-N
MW2505.89 g/mol
LogP28.91
Rot. Bonds22

About tris(4-(3-fluoro-4-isocyanophenyl)-5-(4-methoxyphenyl)-2-(4-methylpiperidin-1-yl)-1H-pyrimidin-6-one);6-(3-fluoro-4-isocyanophenyl)-5-(6-methoxy-3-pyridinyl)-3-methyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-one;6-(3-fluoro-4-isocyanophenyl)-3-methyl-2-(4-methylpiperidin-1-yl)-5-(6-methyl-3-pyridinyl)pyrimidin-4-one;6-(4-isocyanophenyl)-3-methyl-2-(4-methylpiperidin-1-yl)-5-(6-methyl-3-pyridinyl)pyrimidin-4-one

tris(4-(3-fluoro-4-isocyanophenyl)-5-(4-methoxyphenyl)-2-(4-methylpiperidin-1-yl)-1H-pyrimidin-6-one);6-(3-fluoro-4-isocyanophenyl)-5-(6-methoxy-3-pyridinyl)-3-methyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-one;6-(3-fluoro-4-isocyanophenyl)-3-methyl-2-(4-methylpiperidin-1-yl)-5-(6-methyl-3-pyridinyl)pyrimidin-4-one;6-(4-isocyanophenyl)-3-methyl-2-(4-methylpiperidin-1-yl)-5-(6-methyl-3-pyridinyl)pyrimidin-4-one (PubChem CID 157405655) has the molecular formula C144H142F5N27O10 and a molecular weight of 2505.89 g/mol. Its IUPAC name is tris(4-(3-fluoro-4-isocyanophenyl)-5-(4-methoxyphenyl)-2-(4-methylpiperidin-1-yl)-1H-pyrimidin-6-one);6-(3-fluoro-4-isocyanophenyl)-5-(6-methoxy-3-pyridinyl)-3-methyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-one;6-(3-fluoro-4-isocyanophenyl)-3-methyl-2-(4-methylpiperidin-1-yl)-5-(6-methyl-3-pyridinyl)pyrimidin-4-one;6-(4-isocyanophenyl)-3-methyl-2-(4-methylpiperidin-1-yl)-5-(6-methyl-3-pyridinyl)pyrimidin-4-one.

Molecular Properties

Compound Nametris(4-(3-fluoro-4-isocyanophenyl)-5-(4-methoxyphenyl)-2-(4-methylpiperidin-1-yl)-1H-pyrimidin-6-one);6-(3-fluoro-4-isocyanophenyl)-5-(6-methoxy-3-pyridinyl)-3-methyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-one;6-(3-fluoro-4-isocyanophenyl)-3-methyl-2-(4-methylpiperidin-1-yl)-5-(6-methyl-3-pyridinyl)pyrimidin-4-one;6-(4-isocyanophenyl)-3-methyl-2-(4-methylpiperidin-1-yl)-5-(6-methyl-3-pyridinyl)pyrimidin-4-one
PubChem CID157405655
Molecular FormulaC144H142F5N27O10
Molecular Weight2505.89 g/mol
Exact Mass2504.14
IUPAC Nametris(4-(3-fluoro-4-isocyanophenyl)-5-(4-methoxyphenyl)-2-(4-methylpiperidin-1-yl)-1H-pyrimidin-6-one);6-(3-fluoro-4-isocyanophenyl)-5-(6-methoxy-3-pyridinyl)-3-methyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-one;6-(3-fluoro-4-isocyanophenyl)-3-methyl-2-(4-methylpiperidin-1-yl)-5-(6-methyl-3-pyridinyl)pyrimidin-4-one;6-(4-isocyanophenyl)-3-methyl-2-(4-methylpiperidin-1-yl)-5-(6-methyl-3-pyridinyl)pyrimidin-4-one
SMILES[C-]#[N+]c1ccc(-c2nc(N3CCC(C)CC3)[nH]c(=O)c2-c2ccc(OC)cc2)cc1F.[C-]#[N+]c1ccc(-c2nc(N3CCC(C)CC3)[nH]c(=O)c2-c2ccc(OC)cc2)cc1F.[C-]#[N+]c1ccc(-c2nc(N3CCC(C)CC3)[nH]c(=O)c2-c2ccc(OC)cc2)cc1F.[C-]#[N+]c1ccc(-c2nc(N3CCC(C)CC3)n(C)c(=O)c2-c2ccc(C)nc2)cc1.[C-]#[N+]c1ccc(-c2nc(N3CCC(C)CC3)n(C)c(=O)c2-c2ccc(C)nc2)cc1F.[C-]#[N+]c1ccc(-c2nc(N3CCC(C)CC3)n(C)c(=O)c2-c2ccc(OC)nc2)cc1F
InChIInChI=1S/C24H24FN5O2.C24H24FN5O.3C24H23FN4O2.C24H25N5O/c1-15-9-11-30(12-10-15)24-28-22(16-5-7-19(26-2)18(25)13-16)21(23(31)29(24)3)17-6-8-20(32-4)27-14-17;1-15-9-11-30(12-10-15)24-28-22(17-7-8-20(26-3)19(25)13-17)21(23(31)29(24)4)18-6-5-16(2)27-14-18;3*1-15-10-12-29(13-11-15)24-27-22(17-6-9-20(26-2)19(25)14-17)21(23(30)28-24)16-4-7-18(31-3)8-5-16;1-16-11-13-29(14-12-16)24-27-22(18-7-9-20(25-3)10-8-18)21(23(30)28(24)4)19-6-5-17(2)26-15-19/h5-8,13-15H,9-12H2,1,3-4H3;5-8,13-15H,9-12H2,1-2,4H3;3*4-9,14-15H,10-13H2,1,3H3,(H,27,28,30);5-10,15-16H,11-14H2,1-2,4H3
InChIKeyBNRMEWGUPFIPJT-UHFFFAOYSA-N
XLogP28.91
TPSA363.11 Ų
H-Bond Donors3
H-Bond Acceptors28
Rotatable Bonds22
Heavy Atoms186
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002505.89
LogP ≤ 528.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

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

Analyze tris(4-(3-fluoro-4-isocyanophenyl)-5-(4-methoxyphenyl)-2-(4-methylpiperidin-1-yl)-1H-pyrimidin-6-one);6-(3-fluoro-4-isocyanophenyl)-5-(6-methoxy-3-pyridinyl)-3-methyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-one;6-(3-fluoro-4-isocyanophenyl)-3-methyl-2-(4-methylpiperidin-1-yl)-5-(6-methyl-3-pyridinyl)pyrimidin-4-one;6-(4-isocyanophenyl)-3-methyl-2-(4-methylpiperidin-1-yl)-5-(6-methyl-3-pyridinyl)pyrimidin-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of tris(4-(3-fluoro-4-isocyanophenyl)-5-(4-methoxyphenyl)-2-(4-methylpiperidin-1-yl)-1H-pyrimidin-6-one);6-(3-fluoro-4-isocyanophenyl)-5-(6-methoxy-3-pyridinyl)-3-methyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-one;6-(3-fluoro-4-isocyanophenyl)-3-methyl-2-(4-methylpiperidin-1-yl)-5-(6-methyl-3-pyridinyl)pyrimidin-4-one;6-(4-isocyanophenyl)-3-methyl-2-(4-methylpiperidin-1-yl)-5-(6-methyl-3-pyridinyl)pyrimidin-4-one?
The IUPAC name of tris(4-(3-fluoro-4-isocyanophenyl)-5-(4-methoxyphenyl)-2-(4-methylpiperidin-1-yl)-1H-pyrimidin-6-one);6-(3-fluoro-4-isocyanophenyl)-5-(6-methoxy-3-pyridinyl)-3-methyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-one;6-(3-fluoro-4-isocyanophenyl)-3-methyl-2-(4-methylpiperidin-1-yl)-5-(6-methyl-3-pyridinyl)pyrimidin-4-one;6-(4-isocyanophenyl)-3-methyl-2-(4-methylpiperidin-1-yl)-5-(6-methyl-3-pyridinyl)pyrimidin-4-one (CID 157405655) is tris(4-(3-fluoro-4-isocyanophenyl)-5-(4-methoxyphenyl)-2-(4-methylpiperidin-1-yl)-1H-pyrimidin-6-one);6-(3-fluoro-4-isocyanophenyl)-5-(6-methoxy-3-pyridinyl)-3-methyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-one;6-(3-fluoro-4-isocyanophenyl)-3-methyl-2-(4-methylpiperidin-1-yl)-5-(6-methyl-3-pyridinyl)pyrimidin-4-one;6-(4-isocyanophenyl)-3-methyl-2-(4-methylpiperidin-1-yl)-5-(6-methyl-3-pyridinyl)pyrimidin-4-one.
What is the SMILES notation for tris(4-(3-fluoro-4-isocyanophenyl)-5-(4-methoxyphenyl)-2-(4-methylpiperidin-1-yl)-1H-pyrimidin-6-one);6-(3-fluoro-4-isocyanophenyl)-5-(6-methoxy-3-pyridinyl)-3-methyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-one;6-(3-fluoro-4-isocyanophenyl)-3-methyl-2-(4-methylpiperidin-1-yl)-5-(6-methyl-3-pyridinyl)pyrimidin-4-one;6-(4-isocyanophenyl)-3-methyl-2-(4-methylpiperidin-1-yl)-5-(6-methyl-3-pyridinyl)pyrimidin-4-one?
The canonical SMILES for tris(4-(3-fluoro-4-isocyanophenyl)-5-(4-methoxyphenyl)-2-(4-methylpiperidin-1-yl)-1H-pyrimidin-6-one);6-(3-fluoro-4-isocyanophenyl)-5-(6-methoxy-3-pyridinyl)-3-methyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-one;6-(3-fluoro-4-isocyanophenyl)-3-methyl-2-(4-methylpiperidin-1-yl)-5-(6-methyl-3-pyridinyl)pyrimidin-4-one;6-(4-isocyanophenyl)-3-methyl-2-(4-methylpiperidin-1-yl)-5-(6-methyl-3-pyridinyl)pyrimidin-4-one is [C-]#[N+]c1ccc(-c2nc(N3CCC(C)CC3)[nH]c(=O)c2-c2ccc(OC)cc2)cc1F.[C-]#[N+]c1ccc(-c2nc(N3CCC(C)CC3)[nH]c(=O)c2-c2ccc(OC)cc2)cc1F.[C-]#[N+]c1ccc(-c2nc(N3CCC(C)CC3)[nH]c(=O)c2-c2ccc(OC)cc2)cc1F.[C-]#[N+]c1ccc(-c2nc(N3CCC(C)CC3)n(C)c(=O)c2-c2ccc(C)nc2)cc1.[C-]#[N+]c1ccc(-c2nc(N3CCC(C)CC3)n(C)c(=O)c2-c2ccc(C)nc2)cc1F.[C-]#[N+]c1ccc(-c2nc(N3CCC(C)CC3)n(C)c(=O)c2-c2ccc(OC)nc2)cc1F.
What is the InChIKey of tris(4-(3-fluoro-4-isocyanophenyl)-5-(4-methoxyphenyl)-2-(4-methylpiperidin-1-yl)-1H-pyrimidin-6-one);6-(3-fluoro-4-isocyanophenyl)-5-(6-methoxy-3-pyridinyl)-3-methyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-one;6-(3-fluoro-4-isocyanophenyl)-3-methyl-2-(4-methylpiperidin-1-yl)-5-(6-methyl-3-pyridinyl)pyrimidin-4-one;6-(4-isocyanophenyl)-3-methyl-2-(4-methylpiperidin-1-yl)-5-(6-methyl-3-pyridinyl)pyrimidin-4-one?
The InChIKey is BNRMEWGUPFIPJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN5O2.C24H24FN5O.3C24H23FN4O2.C24H25N5O/c1-15-9-11-30(12-10-15)24-28-22(16-5-7-19(26-2)18(25)13-16)21(23(31)29(24)3)17-6-8-20(32-4)27-14-17;1-15-9-11-30(12-10-15)24-28-22(17-7-8-20(26-3)19(25)13-17)21(23(31)29(24)4)18-6-5-16(2)27-14-18;3*1-15-10-12-29(13-11-15)24-27-22(17-6-9-20(26-2)19(25)14-17)21(23(30)28-24)16-4-7-18(31-3)8-5-16;1-16-11-13-29(14-12-16)24-27-22(18-7-9-20(25-3)10-8-18)21(23(30)28(24)4)19-6-5-17(2)26-15-19/h5-8,13-15H,9-12H2,1,3-4H3;5-8,13-15H,9-12H2,1-2,4H3;3*4-9,14-15H,10-13H2,1,3H3,(H,27,28,30);5-10,15-16H,11-14H2,1-2,4H3.
What are the key properties of tris(4-(3-fluoro-4-isocyanophenyl)-5-(4-methoxyphenyl)-2-(4-methylpiperidin-1-yl)-1H-pyrimidin-6-one);6-(3-fluoro-4-isocyanophenyl)-5-(6-methoxy-3-pyridinyl)-3-methyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-one;6-(3-fluoro-4-isocyanophenyl)-3-methyl-2-(4-methylpiperidin-1-yl)-5-(6-methyl-3-pyridinyl)pyrimidin-4-one;6-(4-isocyanophenyl)-3-methyl-2-(4-methylpiperidin-1-yl)-5-(6-methyl-3-pyridinyl)pyrimidin-4-one?
tris(4-(3-fluoro-4-isocyanophenyl)-5-(4-methoxyphenyl)-2-(4-methylpiperidin-1-yl)-1H-pyrimidin-6-one);6-(3-fluoro-4-isocyanophenyl)-5-(6-methoxy-3-pyridinyl)-3-methyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-one;6-(3-fluoro-4-isocyanophenyl)-3-methyl-2-(4-methylpiperidin-1-yl)-5-(6-methyl-3-pyridinyl)pyrimidin-4-one;6-(4-isocyanophenyl)-3-methyl-2-(4-methylpiperidin-1-yl)-5-(6-methyl-3-pyridinyl)pyrimidin-4-one has a molecular weight of 2505.89 g/mol, XLogP of 28.91, 22 rotatable bonds, 3 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for tris(4-(3-fluoro-4-isocyanophenyl)-5-(4-methoxyphenyl)-2-(4-methylpiperidin-1-yl)-1H-pyrimidin-6-one);6-(3-fluoro-4-isocyanophenyl)-5-(6-methoxy-3-pyridinyl)-3-methyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-one;6-(3-fluoro-4-isocyanophenyl)-3-methyl-2-(4-methylpiperidin-1-yl)-5-(6-methyl-3-pyridinyl)pyrimidin-4-one;6-(4-isocyanophenyl)-3-methyl-2-(4-methylpiperidin-1-yl)-5-(6-methyl-3-pyridinyl)pyrimidin-4-one is sourced from PubChem (CID 157405655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).