6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-3-isocyanoimidazo[1,2-a]pyridine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-isocyanoimidazo[1,2-a]pyridine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-pyrrolidin-1-ylimidazo[1,2-a]pyridine;3-isocyano-6-[2-(3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine;3-isocyano-6-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]imidazo[1,2-a]pyridine

C105H75F5N20 — CID 159011187

IUPAC6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-3-isocyanoimidazo[1,2-a]pyridine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-isocyanoimidazo[1,2-a]pyridine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-pyrrolidin-1-ylimidazo[1,2-a]pyridine;3-isocyano-6-[2-(3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine;3-isocyano-6-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]imidazo[1,2-a]pyridine
SMILESCc1cc(-c2ncccc2-c2ccc3ncc(N4CCCC4)n3c2)ccc1F.[C-]#[N+]c1cnc2ccc(-c3cccnc3-c3ccc(F)c(C)c3)cn12.[C-]#[N+]c1cnc2ccc(-c3cccnc3-c3cccc(C(F)(F)F)c3)cn12.[C-]#[N+]c1cnc2ccc(-c3cccnc3-c3cccc(C)c3)cn12.[C-]#[N+]c1cnc2ccc(-c3cccnc3-c3cccc(C4CC4)c3)cn12
InChIInChI=1S/C23H21FN4.C22H16N4.C20H11F3N4.C20H13FN4.C20H14N4/c1-16-13-17(6-8-20(16)24)23-19(5-4-10-25-23)18-7-9-21-26-14-22(28(21)15-18)27-11-2-3-12-27;1-23-21-13-25-20-10-9-18(14-26(20)21)19-6-3-11-24-22(19)17-5-2-4-16(12-17)15-7-8-15;1-24-18-11-26-17-8-7-14(12-27(17)18)16-6-3-9-25-19(16)13-4-2-5-15(10-13)20(21,22)23;1-13-10-14(5-7-17(13)21)20-16(4-3-9-23-20)15-6-8-18-24-11-19(22-2)25(18)12-15;1-14-5-3-6-15(11-14)20-17(7-4-10-22-20)16-8-9-18-23-12-19(21-2)24(18)13-16/h4-10,13-15H,2-3,11-12H2,1H3;2-6,9-15H,7-8H2;2-12H;3-12H,1H3;3-13H,1H3
InChIKeyJSMWDWANAIWJTF-UHFFFAOYSA-N
MW1711.88 g/mol
LogP26.22
Rot. Bonds12

About 6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-3-isocyanoimidazo[1,2-a]pyridine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-isocyanoimidazo[1,2-a]pyridine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-pyrrolidin-1-ylimidazo[1,2-a]pyridine;3-isocyano-6-[2-(3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine;3-isocyano-6-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]imidazo[1,2-a]pyridine

6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-3-isocyanoimidazo[1,2-a]pyridine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-isocyanoimidazo[1,2-a]pyridine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-pyrrolidin-1-ylimidazo[1,2-a]pyridine;3-isocyano-6-[2-(3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine;3-isocyano-6-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]imidazo[1,2-a]pyridine (PubChem CID 159011187) has the molecular formula C105H75F5N20 and a molecular weight of 1711.88 g/mol. Its IUPAC name is 6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-3-isocyanoimidazo[1,2-a]pyridine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-isocyanoimidazo[1,2-a]pyridine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-pyrrolidin-1-ylimidazo[1,2-a]pyridine;3-isocyano-6-[2-(3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine;3-isocyano-6-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-3-isocyanoimidazo[1,2-a]pyridine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-isocyanoimidazo[1,2-a]pyridine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-pyrrolidin-1-ylimidazo[1,2-a]pyridine;3-isocyano-6-[2-(3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine;3-isocyano-6-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]imidazo[1,2-a]pyridine
PubChem CID159011187
Molecular FormulaC105H75F5N20
Molecular Weight1711.88 g/mol
Exact Mass1710.64
IUPAC Name6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-3-isocyanoimidazo[1,2-a]pyridine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-isocyanoimidazo[1,2-a]pyridine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-pyrrolidin-1-ylimidazo[1,2-a]pyridine;3-isocyano-6-[2-(3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine;3-isocyano-6-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]imidazo[1,2-a]pyridine
SMILESCc1cc(-c2ncccc2-c2ccc3ncc(N4CCCC4)n3c2)ccc1F.[C-]#[N+]c1cnc2ccc(-c3cccnc3-c3ccc(F)c(C)c3)cn12.[C-]#[N+]c1cnc2ccc(-c3cccnc3-c3cccc(C(F)(F)F)c3)cn12.[C-]#[N+]c1cnc2ccc(-c3cccnc3-c3cccc(C)c3)cn12.[C-]#[N+]c1cnc2ccc(-c3cccnc3-c3cccc(C4CC4)c3)cn12
InChIInChI=1S/C23H21FN4.C22H16N4.C20H11F3N4.C20H13FN4.C20H14N4/c1-16-13-17(6-8-20(16)24)23-19(5-4-10-25-23)18-7-9-21-26-14-22(28(21)15-18)27-11-2-3-12-27;1-23-21-13-25-20-10-9-18(14-26(20)21)19-6-3-11-24-22(19)17-5-2-4-16(12-17)15-7-8-15;1-24-18-11-26-17-8-7-14(12-27(17)18)16-6-3-9-25-19(16)13-4-2-5-15(10-13)20(21,22)23;1-13-10-14(5-7-17(13)21)20-16(4-3-9-23-20)15-6-8-18-24-11-19(22-2)25(18)12-15;1-14-5-3-6-15(11-14)20-17(7-4-10-22-20)16-8-9-18-23-12-19(21-2)24(18)13-16/h4-10,13-15H,2-3,11-12H2,1H3;2-6,9-15H,7-8H2;2-12H;3-12H,1H3;3-13H,1H3
InChIKeyJSMWDWANAIWJTF-UHFFFAOYSA-N
XLogP26.22
TPSA171.63 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds12
Heavy Atoms130
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001711.88
LogP ≤ 526.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze 6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-3-isocyanoimidazo[1,2-a]pyridine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-isocyanoimidazo[1,2-a]pyridine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-pyrrolidin-1-ylimidazo[1,2-a]pyridine;3-isocyano-6-[2-(3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine;3-isocyano-6-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]imidazo[1,2-a]pyridine with MolForge

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Related Compounds

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5,7-Dimethyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]-[1,2,4]triazolo[1,5-a]pyridine;6,8-dimethyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]-[1,2,4]triazolo[1,5-a]pyridine;2-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]-5-(trifluoromethyl)imidazo[1,2-a]pyridine
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Frequently Asked Questions

What is the IUPAC name of 6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-3-isocyanoimidazo[1,2-a]pyridine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-isocyanoimidazo[1,2-a]pyridine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-pyrrolidin-1-ylimidazo[1,2-a]pyridine;3-isocyano-6-[2-(3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine;3-isocyano-6-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]imidazo[1,2-a]pyridine?
The IUPAC name of 6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-3-isocyanoimidazo[1,2-a]pyridine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-isocyanoimidazo[1,2-a]pyridine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-pyrrolidin-1-ylimidazo[1,2-a]pyridine;3-isocyano-6-[2-(3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine;3-isocyano-6-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]imidazo[1,2-a]pyridine (CID 159011187) is 6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-3-isocyanoimidazo[1,2-a]pyridine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-isocyanoimidazo[1,2-a]pyridine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-pyrrolidin-1-ylimidazo[1,2-a]pyridine;3-isocyano-6-[2-(3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine;3-isocyano-6-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-3-isocyanoimidazo[1,2-a]pyridine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-isocyanoimidazo[1,2-a]pyridine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-pyrrolidin-1-ylimidazo[1,2-a]pyridine;3-isocyano-6-[2-(3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine;3-isocyano-6-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]imidazo[1,2-a]pyridine?
The canonical SMILES for 6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-3-isocyanoimidazo[1,2-a]pyridine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-isocyanoimidazo[1,2-a]pyridine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-pyrrolidin-1-ylimidazo[1,2-a]pyridine;3-isocyano-6-[2-(3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine;3-isocyano-6-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]imidazo[1,2-a]pyridine is Cc1cc(-c2ncccc2-c2ccc3ncc(N4CCCC4)n3c2)ccc1F.[C-]#[N+]c1cnc2ccc(-c3cccnc3-c3ccc(F)c(C)c3)cn12.[C-]#[N+]c1cnc2ccc(-c3cccnc3-c3cccc(C(F)(F)F)c3)cn12.[C-]#[N+]c1cnc2ccc(-c3cccnc3-c3cccc(C)c3)cn12.[C-]#[N+]c1cnc2ccc(-c3cccnc3-c3cccc(C4CC4)c3)cn12.
What is the InChIKey of 6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-3-isocyanoimidazo[1,2-a]pyridine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-isocyanoimidazo[1,2-a]pyridine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-pyrrolidin-1-ylimidazo[1,2-a]pyridine;3-isocyano-6-[2-(3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine;3-isocyano-6-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]imidazo[1,2-a]pyridine?
The InChIKey is JSMWDWANAIWJTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4.C22H16N4.C20H11F3N4.C20H13FN4.C20H14N4/c1-16-13-17(6-8-20(16)24)23-19(5-4-10-25-23)18-7-9-21-26-14-22(28(21)15-18)27-11-2-3-12-27;1-23-21-13-25-20-10-9-18(14-26(20)21)19-6-3-11-24-22(19)17-5-2-4-16(12-17)15-7-8-15;1-24-18-11-26-17-8-7-14(12-27(17)18)16-6-3-9-25-19(16)13-4-2-5-15(10-13)20(21,22)23;1-13-10-14(5-7-17(13)21)20-16(4-3-9-23-20)15-6-8-18-24-11-19(22-2)25(18)12-15;1-14-5-3-6-15(11-14)20-17(7-4-10-22-20)16-8-9-18-23-12-19(21-2)24(18)13-16/h4-10,13-15H,2-3,11-12H2,1H3;2-6,9-15H,7-8H2;2-12H;3-12H,1H3;3-13H,1H3.
What are the key properties of 6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-3-isocyanoimidazo[1,2-a]pyridine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-isocyanoimidazo[1,2-a]pyridine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-pyrrolidin-1-ylimidazo[1,2-a]pyridine;3-isocyano-6-[2-(3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine;3-isocyano-6-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]imidazo[1,2-a]pyridine?
6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-3-isocyanoimidazo[1,2-a]pyridine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-isocyanoimidazo[1,2-a]pyridine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-pyrrolidin-1-ylimidazo[1,2-a]pyridine;3-isocyano-6-[2-(3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine;3-isocyano-6-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]imidazo[1,2-a]pyridine has a molecular weight of 1711.88 g/mol, XLogP of 26.22, 12 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-3-isocyanoimidazo[1,2-a]pyridine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-isocyanoimidazo[1,2-a]pyridine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-pyrrolidin-1-ylimidazo[1,2-a]pyridine;3-isocyano-6-[2-(3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine;3-isocyano-6-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 159011187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).