6-[5-(1-cyclopropylpyrazol-3-yl)-2-[2-(3-fluoro-5-methylphenyl)ethyl]-1H-imidazol-4-yl]-3-methylquinazolin-4-one;6-[2-[2-(3-fluoro-5-methylphenyl)ethyl]-5-(1-propan-2-ylpyrazol-3-yl)-1H-imidazol-4-yl]-3-methylquinazolin-4-one;6-[2-[2-(2-fluorophenyl)ethyl]-5-(1-methylpyrazol-3-yl)-1H-imidazol-4-yl]quinoline;6-[2-[2-(2-fluorophenyl)ethyl]-5-(1-propan-2-ylpyrazol-3-yl)-1H-imidazol-4-yl]quinoline;6-[2-[2-(3-methylphenyl)ethyl]-5-(1-propan-2-ylpyrazol-3-yl)-1H-imidazol-4-yl]quinoline

C131H123F4N27O2 — CID 157183464

IUPAC6-[5-(1-cyclopropylpyrazol-3-yl)-2-[2-(3-fluoro-5-methylphenyl)ethyl]-1H-imidazol-4-yl]-3-methylquinazolin-4-one;6-[2-[2-(3-fluoro-5-methylphenyl)ethyl]-5-(1-propan-2-ylpyrazol-3-yl)-1H-imidazol-4-yl]-3-methylquinazolin-4-one;6-[2-[2-(2-fluorophenyl)ethyl]-5-(1-methylpyrazol-3-yl)-1H-imidazol-4-yl]quinoline;6-[2-[2-(2-fluorophenyl)ethyl]-5-(1-propan-2-ylpyrazol-3-yl)-1H-imidazol-4-yl]quinoline;6-[2-[2-(3-methylphenyl)ethyl]-5-(1-propan-2-ylpyrazol-3-yl)-1H-imidazol-4-yl]quinoline
SMILESCC(C)n1ccc(-c2[nH]c(CCc3ccccc3F)nc2-c2ccc3ncccc3c2)n1.Cc1cc(F)cc(CCc2nc(-c3ccc4ncn(C)c(=O)c4c3)c(-c3ccn(C(C)C)n3)[nH]2)c1.Cc1cc(F)cc(CCc2nc(-c3ccc4ncn(C)c(=O)c4c3)c(-c3ccn(C4CC4)n3)[nH]2)c1.Cc1cccc(CCc2nc(-c3ccc4ncccc4c3)c(-c3ccn(C(C)C)n3)[nH]2)c1.Cn1ccc(-c2[nH]c(CCc3ccccc3F)nc2-c2ccc3ncccc3c2)n1
InChIInChI=1S/C27H25FN6O.C27H27FN6O.C27H27N5.C26H24FN5.C24H20FN5/c1-16-11-17(13-19(28)12-16)3-8-24-30-25(26(31-24)23-9-10-34(32-23)20-5-6-20)18-4-7-22-21(14-18)27(35)33(2)15-29-22;1-16(2)34-10-9-23(32-34)26-25(19-6-7-22-21(14-19)27(35)33(4)15-29-22)30-24(31-26)8-5-18-11-17(3)12-20(28)13-18;1-18(2)32-15-13-24(31-32)27-26(22-10-11-23-21(17-22)8-5-14-28-23)29-25(30-27)12-9-20-7-4-6-19(3)16-20;1-17(2)32-15-13-23(31-32)26-25(20-9-11-22-19(16-20)7-5-14-28-22)29-24(30-26)12-10-18-6-3-4-8-21(18)27;1-30-14-12-21(29-30)24-23(18-8-10-20-17(15-18)6-4-13-26-20)27-22(28-24)11-9-16-5-2-3-7-19(16)25/h4,7,9-15,20H,3,5-6,8H2,1-2H3,(H,30,31);6-7,9-16H,5,8H2,1-4H3,(H,30,31);4-8,10-11,13-18H,9,12H2,1-3H3,(H,29,30);3-9,11,13-17H,10,12H2,1-2H3,(H,29,30);2-8,10,12-15H,9,11H2,1H3,(H,27,28)
InChIKeyAOVJKYBAOCQVJJ-UHFFFAOYSA-N
MW2183.60 g/mol
LogP26.86
Rot. Bonds29

About 6-[5-(1-cyclopropylpyrazol-3-yl)-2-[2-(3-fluoro-5-methylphenyl)ethyl]-1H-imidazol-4-yl]-3-methylquinazolin-4-one;6-[2-[2-(3-fluoro-5-methylphenyl)ethyl]-5-(1-propan-2-ylpyrazol-3-yl)-1H-imidazol-4-yl]-3-methylquinazolin-4-one;6-[2-[2-(2-fluorophenyl)ethyl]-5-(1-methylpyrazol-3-yl)-1H-imidazol-4-yl]quinoline;6-[2-[2-(2-fluorophenyl)ethyl]-5-(1-propan-2-ylpyrazol-3-yl)-1H-imidazol-4-yl]quinoline;6-[2-[2-(3-methylphenyl)ethyl]-5-(1-propan-2-ylpyrazol-3-yl)-1H-imidazol-4-yl]quinoline

6-[5-(1-cyclopropylpyrazol-3-yl)-2-[2-(3-fluoro-5-methylphenyl)ethyl]-1H-imidazol-4-yl]-3-methylquinazolin-4-one;6-[2-[2-(3-fluoro-5-methylphenyl)ethyl]-5-(1-propan-2-ylpyrazol-3-yl)-1H-imidazol-4-yl]-3-methylquinazolin-4-one;6-[2-[2-(2-fluorophenyl)ethyl]-5-(1-methylpyrazol-3-yl)-1H-imidazol-4-yl]quinoline;6-[2-[2-(2-fluorophenyl)ethyl]-5-(1-propan-2-ylpyrazol-3-yl)-1H-imidazol-4-yl]quinoline;6-[2-[2-(3-methylphenyl)ethyl]-5-(1-propan-2-ylpyrazol-3-yl)-1H-imidazol-4-yl]quinoline (PubChem CID 157183464) has the molecular formula C131H123F4N27O2 and a molecular weight of 2183.60 g/mol. Its IUPAC name is 6-[5-(1-cyclopropylpyrazol-3-yl)-2-[2-(3-fluoro-5-methylphenyl)ethyl]-1H-imidazol-4-yl]-3-methylquinazolin-4-one;6-[2-[2-(3-fluoro-5-methylphenyl)ethyl]-5-(1-propan-2-ylpyrazol-3-yl)-1H-imidazol-4-yl]-3-methylquinazolin-4-one;6-[2-[2-(2-fluorophenyl)ethyl]-5-(1-methylpyrazol-3-yl)-1H-imidazol-4-yl]quinoline;6-[2-[2-(2-fluorophenyl)ethyl]-5-(1-propan-2-ylpyrazol-3-yl)-1H-imidazol-4-yl]quinoline;6-[2-[2-(3-methylphenyl)ethyl]-5-(1-propan-2-ylpyrazol-3-yl)-1H-imidazol-4-yl]quinoline.

Molecular Properties

Compound Name6-[5-(1-cyclopropylpyrazol-3-yl)-2-[2-(3-fluoro-5-methylphenyl)ethyl]-1H-imidazol-4-yl]-3-methylquinazolin-4-one;6-[2-[2-(3-fluoro-5-methylphenyl)ethyl]-5-(1-propan-2-ylpyrazol-3-yl)-1H-imidazol-4-yl]-3-methylquinazolin-4-one;6-[2-[2-(2-fluorophenyl)ethyl]-5-(1-methylpyrazol-3-yl)-1H-imidazol-4-yl]quinoline;6-[2-[2-(2-fluorophenyl)ethyl]-5-(1-propan-2-ylpyrazol-3-yl)-1H-imidazol-4-yl]quinoline;6-[2-[2-(3-methylphenyl)ethyl]-5-(1-propan-2-ylpyrazol-3-yl)-1H-imidazol-4-yl]quinoline
PubChem CID157183464
Molecular FormulaC131H123F4N27O2
Molecular Weight2183.60 g/mol
Exact Mass2182.03
IUPAC Name6-[5-(1-cyclopropylpyrazol-3-yl)-2-[2-(3-fluoro-5-methylphenyl)ethyl]-1H-imidazol-4-yl]-3-methylquinazolin-4-one;6-[2-[2-(3-fluoro-5-methylphenyl)ethyl]-5-(1-propan-2-ylpyrazol-3-yl)-1H-imidazol-4-yl]-3-methylquinazolin-4-one;6-[2-[2-(2-fluorophenyl)ethyl]-5-(1-methylpyrazol-3-yl)-1H-imidazol-4-yl]quinoline;6-[2-[2-(2-fluorophenyl)ethyl]-5-(1-propan-2-ylpyrazol-3-yl)-1H-imidazol-4-yl]quinoline;6-[2-[2-(3-methylphenyl)ethyl]-5-(1-propan-2-ylpyrazol-3-yl)-1H-imidazol-4-yl]quinoline
SMILESCC(C)n1ccc(-c2[nH]c(CCc3ccccc3F)nc2-c2ccc3ncccc3c2)n1.Cc1cc(F)cc(CCc2nc(-c3ccc4ncn(C)c(=O)c4c3)c(-c3ccn(C(C)C)n3)[nH]2)c1.Cc1cc(F)cc(CCc2nc(-c3ccc4ncn(C)c(=O)c4c3)c(-c3ccn(C4CC4)n3)[nH]2)c1.Cc1cccc(CCc2nc(-c3ccc4ncccc4c3)c(-c3ccn(C(C)C)n3)[nH]2)c1.Cn1ccc(-c2[nH]c(CCc3ccccc3F)nc2-c2ccc3ncccc3c2)n1
InChIInChI=1S/C27H25FN6O.C27H27FN6O.C27H27N5.C26H24FN5.C24H20FN5/c1-16-11-17(13-19(28)12-16)3-8-24-30-25(26(31-24)23-9-10-34(32-23)20-5-6-20)18-4-7-22-21(14-18)27(35)33(2)15-29-22;1-16(2)34-10-9-23(32-34)26-25(19-6-7-22-21(14-19)27(35)33(4)15-29-22)30-24(31-26)8-5-18-11-17(3)12-20(28)13-18;1-18(2)32-15-13-24(31-32)27-26(22-10-11-23-21(17-22)8-5-14-28-23)29-25(30-27)12-9-20-7-4-6-19(3)16-20;1-17(2)32-15-13-23(31-32)26-25(20-9-11-22-19(16-20)7-5-14-28-22)29-24(30-26)12-10-18-6-3-4-8-21(18)27;1-30-14-12-21(29-30)24-23(18-8-10-20-17(15-18)6-4-13-26-20)27-22(28-24)11-9-16-5-2-3-7-19(16)25/h4,7,9-15,20H,3,5-6,8H2,1-2H3,(H,30,31);6-7,9-16H,5,8H2,1-4H3,(H,30,31);4-8,10-11,13-18H,9,12H2,1-3H3,(H,29,30);3-9,11,13-17H,10,12H2,1-2H3,(H,29,30);2-8,10,12-15H,9,11H2,1H3,(H,27,28)
InChIKeyAOVJKYBAOCQVJJ-UHFFFAOYSA-N
XLogP26.86
TPSA340.95 Ų
H-Bond Donors5
H-Bond Acceptors24
Rotatable Bonds29
Heavy Atoms164
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002183.60
LogP ≤ 526.86
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1024

Analyze 6-[5-(1-cyclopropylpyrazol-3-yl)-2-[2-(3-fluoro-5-methylphenyl)ethyl]-1H-imidazol-4-yl]-3-methylquinazolin-4-one;6-[2-[2-(3-fluoro-5-methylphenyl)ethyl]-5-(1-propan-2-ylpyrazol-3-yl)-1H-imidazol-4-yl]-3-methylquinazolin-4-one;6-[2-[2-(2-fluorophenyl)ethyl]-5-(1-methylpyrazol-3-yl)-1H-imidazol-4-yl]quinoline;6-[2-[2-(2-fluorophenyl)ethyl]-5-(1-propan-2-ylpyrazol-3-yl)-1H-imidazol-4-yl]quinoline;6-[2-[2-(3-methylphenyl)ethyl]-5-(1-propan-2-ylpyrazol-3-yl)-1H-imidazol-4-yl]quinoline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[5-(1-cyclopropylpyrazol-3-yl)-2-[2-(3-fluoro-5-methylphenyl)ethyl]-1H-imidazol-4-yl]-3-methylquinazolin-4-one;6-[2-[2-(3-fluoro-5-methylphenyl)ethyl]-5-(1-propan-2-ylpyrazol-3-yl)-1H-imidazol-4-yl]-3-methylquinazolin-4-one;6-[2-[2-(2-fluorophenyl)ethyl]-5-(1-methylpyrazol-3-yl)-1H-imidazol-4-yl]quinoline;6-[2-[2-(2-fluorophenyl)ethyl]-5-(1-propan-2-ylpyrazol-3-yl)-1H-imidazol-4-yl]quinoline;6-[2-[2-(3-methylphenyl)ethyl]-5-(1-propan-2-ylpyrazol-3-yl)-1H-imidazol-4-yl]quinoline?
The IUPAC name of 6-[5-(1-cyclopropylpyrazol-3-yl)-2-[2-(3-fluoro-5-methylphenyl)ethyl]-1H-imidazol-4-yl]-3-methylquinazolin-4-one;6-[2-[2-(3-fluoro-5-methylphenyl)ethyl]-5-(1-propan-2-ylpyrazol-3-yl)-1H-imidazol-4-yl]-3-methylquinazolin-4-one;6-[2-[2-(2-fluorophenyl)ethyl]-5-(1-methylpyrazol-3-yl)-1H-imidazol-4-yl]quinoline;6-[2-[2-(2-fluorophenyl)ethyl]-5-(1-propan-2-ylpyrazol-3-yl)-1H-imidazol-4-yl]quinoline;6-[2-[2-(3-methylphenyl)ethyl]-5-(1-propan-2-ylpyrazol-3-yl)-1H-imidazol-4-yl]quinoline (CID 157183464) is 6-[5-(1-cyclopropylpyrazol-3-yl)-2-[2-(3-fluoro-5-methylphenyl)ethyl]-1H-imidazol-4-yl]-3-methylquinazolin-4-one;6-[2-[2-(3-fluoro-5-methylphenyl)ethyl]-5-(1-propan-2-ylpyrazol-3-yl)-1H-imidazol-4-yl]-3-methylquinazolin-4-one;6-[2-[2-(2-fluorophenyl)ethyl]-5-(1-methylpyrazol-3-yl)-1H-imidazol-4-yl]quinoline;6-[2-[2-(2-fluorophenyl)ethyl]-5-(1-propan-2-ylpyrazol-3-yl)-1H-imidazol-4-yl]quinoline;6-[2-[2-(3-methylphenyl)ethyl]-5-(1-propan-2-ylpyrazol-3-yl)-1H-imidazol-4-yl]quinoline.
What is the SMILES notation for 6-[5-(1-cyclopropylpyrazol-3-yl)-2-[2-(3-fluoro-5-methylphenyl)ethyl]-1H-imidazol-4-yl]-3-methylquinazolin-4-one;6-[2-[2-(3-fluoro-5-methylphenyl)ethyl]-5-(1-propan-2-ylpyrazol-3-yl)-1H-imidazol-4-yl]-3-methylquinazolin-4-one;6-[2-[2-(2-fluorophenyl)ethyl]-5-(1-methylpyrazol-3-yl)-1H-imidazol-4-yl]quinoline;6-[2-[2-(2-fluorophenyl)ethyl]-5-(1-propan-2-ylpyrazol-3-yl)-1H-imidazol-4-yl]quinoline;6-[2-[2-(3-methylphenyl)ethyl]-5-(1-propan-2-ylpyrazol-3-yl)-1H-imidazol-4-yl]quinoline?
The canonical SMILES for 6-[5-(1-cyclopropylpyrazol-3-yl)-2-[2-(3-fluoro-5-methylphenyl)ethyl]-1H-imidazol-4-yl]-3-methylquinazolin-4-one;6-[2-[2-(3-fluoro-5-methylphenyl)ethyl]-5-(1-propan-2-ylpyrazol-3-yl)-1H-imidazol-4-yl]-3-methylquinazolin-4-one;6-[2-[2-(2-fluorophenyl)ethyl]-5-(1-methylpyrazol-3-yl)-1H-imidazol-4-yl]quinoline;6-[2-[2-(2-fluorophenyl)ethyl]-5-(1-propan-2-ylpyrazol-3-yl)-1H-imidazol-4-yl]quinoline;6-[2-[2-(3-methylphenyl)ethyl]-5-(1-propan-2-ylpyrazol-3-yl)-1H-imidazol-4-yl]quinoline is CC(C)n1ccc(-c2[nH]c(CCc3ccccc3F)nc2-c2ccc3ncccc3c2)n1.Cc1cc(F)cc(CCc2nc(-c3ccc4ncn(C)c(=O)c4c3)c(-c3ccn(C(C)C)n3)[nH]2)c1.Cc1cc(F)cc(CCc2nc(-c3ccc4ncn(C)c(=O)c4c3)c(-c3ccn(C4CC4)n3)[nH]2)c1.Cc1cccc(CCc2nc(-c3ccc4ncccc4c3)c(-c3ccn(C(C)C)n3)[nH]2)c1.Cn1ccc(-c2[nH]c(CCc3ccccc3F)nc2-c2ccc3ncccc3c2)n1.
What is the InChIKey of 6-[5-(1-cyclopropylpyrazol-3-yl)-2-[2-(3-fluoro-5-methylphenyl)ethyl]-1H-imidazol-4-yl]-3-methylquinazolin-4-one;6-[2-[2-(3-fluoro-5-methylphenyl)ethyl]-5-(1-propan-2-ylpyrazol-3-yl)-1H-imidazol-4-yl]-3-methylquinazolin-4-one;6-[2-[2-(2-fluorophenyl)ethyl]-5-(1-methylpyrazol-3-yl)-1H-imidazol-4-yl]quinoline;6-[2-[2-(2-fluorophenyl)ethyl]-5-(1-propan-2-ylpyrazol-3-yl)-1H-imidazol-4-yl]quinoline;6-[2-[2-(3-methylphenyl)ethyl]-5-(1-propan-2-ylpyrazol-3-yl)-1H-imidazol-4-yl]quinoline?
The InChIKey is AOVJKYBAOCQVJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25FN6O.C27H27FN6O.C27H27N5.C26H24FN5.C24H20FN5/c1-16-11-17(13-19(28)12-16)3-8-24-30-25(26(31-24)23-9-10-34(32-23)20-5-6-20)18-4-7-22-21(14-18)27(35)33(2)15-29-22;1-16(2)34-10-9-23(32-34)26-25(19-6-7-22-21(14-19)27(35)33(4)15-29-22)30-24(31-26)8-5-18-11-17(3)12-20(28)13-18;1-18(2)32-15-13-24(31-32)27-26(22-10-11-23-21(17-22)8-5-14-28-23)29-25(30-27)12-9-20-7-4-6-19(3)16-20;1-17(2)32-15-13-23(31-32)26-25(20-9-11-22-19(16-20)7-5-14-28-22)29-24(30-26)12-10-18-6-3-4-8-21(18)27;1-30-14-12-21(29-30)24-23(18-8-10-20-17(15-18)6-4-13-26-20)27-22(28-24)11-9-16-5-2-3-7-19(16)25/h4,7,9-15,20H,3,5-6,8H2,1-2H3,(H,30,31);6-7,9-16H,5,8H2,1-4H3,(H,30,31);4-8,10-11,13-18H,9,12H2,1-3H3,(H,29,30);3-9,11,13-17H,10,12H2,1-2H3,(H,29,30);2-8,10,12-15H,9,11H2,1H3,(H,27,28).
What are the key properties of 6-[5-(1-cyclopropylpyrazol-3-yl)-2-[2-(3-fluoro-5-methylphenyl)ethyl]-1H-imidazol-4-yl]-3-methylquinazolin-4-one;6-[2-[2-(3-fluoro-5-methylphenyl)ethyl]-5-(1-propan-2-ylpyrazol-3-yl)-1H-imidazol-4-yl]-3-methylquinazolin-4-one;6-[2-[2-(2-fluorophenyl)ethyl]-5-(1-methylpyrazol-3-yl)-1H-imidazol-4-yl]quinoline;6-[2-[2-(2-fluorophenyl)ethyl]-5-(1-propan-2-ylpyrazol-3-yl)-1H-imidazol-4-yl]quinoline;6-[2-[2-(3-methylphenyl)ethyl]-5-(1-propan-2-ylpyrazol-3-yl)-1H-imidazol-4-yl]quinoline?
6-[5-(1-cyclopropylpyrazol-3-yl)-2-[2-(3-fluoro-5-methylphenyl)ethyl]-1H-imidazol-4-yl]-3-methylquinazolin-4-one;6-[2-[2-(3-fluoro-5-methylphenyl)ethyl]-5-(1-propan-2-ylpyrazol-3-yl)-1H-imidazol-4-yl]-3-methylquinazolin-4-one;6-[2-[2-(2-fluorophenyl)ethyl]-5-(1-methylpyrazol-3-yl)-1H-imidazol-4-yl]quinoline;6-[2-[2-(2-fluorophenyl)ethyl]-5-(1-propan-2-ylpyrazol-3-yl)-1H-imidazol-4-yl]quinoline;6-[2-[2-(3-methylphenyl)ethyl]-5-(1-propan-2-ylpyrazol-3-yl)-1H-imidazol-4-yl]quinoline has a molecular weight of 2183.60 g/mol, XLogP of 26.86, 29 rotatable bonds, 5 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(1-cyclopropylpyrazol-3-yl)-2-[2-(3-fluoro-5-methylphenyl)ethyl]-1H-imidazol-4-yl]-3-methylquinazolin-4-one;6-[2-[2-(3-fluoro-5-methylphenyl)ethyl]-5-(1-propan-2-ylpyrazol-3-yl)-1H-imidazol-4-yl]-3-methylquinazolin-4-one;6-[2-[2-(2-fluorophenyl)ethyl]-5-(1-methylpyrazol-3-yl)-1H-imidazol-4-yl]quinoline;6-[2-[2-(2-fluorophenyl)ethyl]-5-(1-propan-2-ylpyrazol-3-yl)-1H-imidazol-4-yl]quinoline;6-[2-[2-(3-methylphenyl)ethyl]-5-(1-propan-2-ylpyrazol-3-yl)-1H-imidazol-4-yl]quinoline is sourced from PubChem (CID 157183464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).