3-[1-[2-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)-2-oxoethyl]-5-phenylpyrazol-3-yl]benzonitrile;3-[1-[2-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-2-oxoethyl]-5-phenylpyrazol-3-yl]benzonitrile;3-[1-[2-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-2-oxoethyl]-5-phenylpyrazol-3-yl]benzonitrile;3-[1-[2-[4-(5-methyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-oxoethyl]-5-phenylpyrazol-3-yl]benzonitrile

C102H91N23O7S — CID 161240513

IUPAC3-[1-[2-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)-2-oxoethyl]-5-phenylpyrazol-3-yl]benzonitrile;3-[1-[2-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-2-oxoethyl]-5-phenylpyrazol-3-yl]benzonitrile;3-[1-[2-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-2-oxoethyl]-5-phenylpyrazol-3-yl]benzonitrile;3-[1-[2-[4-(5-methyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-oxoethyl]-5-phenylpyrazol-3-yl]benzonitrile
SMILESCc1cnc(C2CCN(C(=O)Cn3nc(-c4cccc(C#N)c4)cc3-c3ccccc3)CC2)o1.Cc1nc2c(s1)CN(C(=O)Cn1nc(-c3cccc(C#N)c3)cc1-c1ccccc1)C2.Cc1nnc(C2CCN(C(=O)Cn3nc(-c4cccc(C#N)c4)cc3-c3ccccc3)CC2)o1.Cc1nnc(N2CCN(C(=O)Cn3nc(-c4cccc(C#N)c4)cc3-c3ccccc3)CC2)o1
InChIInChI=1S/C27H25N5O2.C26H24N6O2.C25H23N7O2.C24H19N5OS/c1-19-17-29-27(34-19)22-10-12-31(13-11-22)26(33)18-32-25(21-7-3-2-4-8-21)15-24(30-32)23-9-5-6-20(14-23)16-28;1-18-28-29-26(34-18)21-10-12-31(13-11-21)25(33)17-32-24(20-7-3-2-4-8-20)15-23(30-32)22-9-5-6-19(14-22)16-27;1-18-27-28-25(34-18)31-12-10-30(11-13-31)24(33)17-32-23(20-7-3-2-4-8-20)15-22(29-32)21-9-5-6-19(14-21)16-26;1-16-26-21-13-28(14-23(21)31-16)24(30)15-29-22(18-7-3-2-4-8-18)11-20(27-29)19-9-5-6-17(10-19)12-25/h2-9,14-15,17,22H,10-13,18H2,1H3;2-9,14-15,21H,10-13,17H2,1H3;2-9,14-15H,10-13,17H2,1H3;2-11H,13-15H2,1H3
InChIKeyUZXYLTYKTFXGRN-UHFFFAOYSA-N
MW1783.07 g/mol
LogP16.50
Rot. Bonds19

About 3-[1-[2-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)-2-oxoethyl]-5-phenylpyrazol-3-yl]benzonitrile;3-[1-[2-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-2-oxoethyl]-5-phenylpyrazol-3-yl]benzonitrile;3-[1-[2-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-2-oxoethyl]-5-phenylpyrazol-3-yl]benzonitrile;3-[1-[2-[4-(5-methyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-oxoethyl]-5-phenylpyrazol-3-yl]benzonitrile

3-[1-[2-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)-2-oxoethyl]-5-phenylpyrazol-3-yl]benzonitrile;3-[1-[2-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-2-oxoethyl]-5-phenylpyrazol-3-yl]benzonitrile;3-[1-[2-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-2-oxoethyl]-5-phenylpyrazol-3-yl]benzonitrile;3-[1-[2-[4-(5-methyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-oxoethyl]-5-phenylpyrazol-3-yl]benzonitrile (PubChem CID 161240513) has the molecular formula C102H91N23O7S and a molecular weight of 1783.07 g/mol. Its IUPAC name is 3-[1-[2-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)-2-oxoethyl]-5-phenylpyrazol-3-yl]benzonitrile;3-[1-[2-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-2-oxoethyl]-5-phenylpyrazol-3-yl]benzonitrile;3-[1-[2-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-2-oxoethyl]-5-phenylpyrazol-3-yl]benzonitrile;3-[1-[2-[4-(5-methyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-oxoethyl]-5-phenylpyrazol-3-yl]benzonitrile.

Molecular Properties

Compound Name3-[1-[2-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)-2-oxoethyl]-5-phenylpyrazol-3-yl]benzonitrile;3-[1-[2-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-2-oxoethyl]-5-phenylpyrazol-3-yl]benzonitrile;3-[1-[2-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-2-oxoethyl]-5-phenylpyrazol-3-yl]benzonitrile;3-[1-[2-[4-(5-methyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-oxoethyl]-5-phenylpyrazol-3-yl]benzonitrile
PubChem CID161240513
Molecular FormulaC102H91N23O7S
Molecular Weight1783.07 g/mol
Exact Mass1781.72
IUPAC Name3-[1-[2-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)-2-oxoethyl]-5-phenylpyrazol-3-yl]benzonitrile;3-[1-[2-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-2-oxoethyl]-5-phenylpyrazol-3-yl]benzonitrile;3-[1-[2-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-2-oxoethyl]-5-phenylpyrazol-3-yl]benzonitrile;3-[1-[2-[4-(5-methyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-oxoethyl]-5-phenylpyrazol-3-yl]benzonitrile
SMILESCc1cnc(C2CCN(C(=O)Cn3nc(-c4cccc(C#N)c4)cc3-c3ccccc3)CC2)o1.Cc1nc2c(s1)CN(C(=O)Cn1nc(-c3cccc(C#N)c3)cc1-c1ccccc1)C2.Cc1nnc(C2CCN(C(=O)Cn3nc(-c4cccc(C#N)c4)cc3-c3ccccc3)CC2)o1.Cc1nnc(N2CCN(C(=O)Cn3nc(-c4cccc(C#N)c4)cc3-c3ccccc3)CC2)o1
InChIInChI=1S/C27H25N5O2.C26H24N6O2.C25H23N7O2.C24H19N5OS/c1-19-17-29-27(34-19)22-10-12-31(13-11-22)26(33)18-32-25(21-7-3-2-4-8-21)15-24(30-32)23-9-5-6-20(14-23)16-28;1-18-28-29-26(34-18)21-10-12-31(13-11-21)25(33)17-32-24(20-7-3-2-4-8-20)15-23(30-32)22-9-5-6-19(14-22)16-27;1-18-27-28-25(34-18)31-12-10-30(11-13-31)24(33)17-32-23(20-7-3-2-4-8-20)15-22(29-32)21-9-5-6-19(14-21)16-26;1-16-26-21-13-28(14-23(21)31-16)24(30)15-29-22(18-7-3-2-4-8-18)11-20(27-29)19-9-5-6-17(10-19)12-25/h2-9,14-15,17,22H,10-13,18H2,1H3;2-9,14-15,21H,10-13,17H2,1H3;2-9,14-15H,10-13,17H2,1H3;2-11H,13-15H2,1H3
InChIKeyUZXYLTYKTFXGRN-UHFFFAOYSA-N
XLogP16.50
TPSA367.68 Ų
H-Bond Donors
H-Bond Acceptors27
Rotatable Bonds19
Heavy Atoms133
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001783.07
LogP ≤ 516.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1027

Analyze 3-[1-[2-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)-2-oxoethyl]-5-phenylpyrazol-3-yl]benzonitrile;3-[1-[2-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-2-oxoethyl]-5-phenylpyrazol-3-yl]benzonitrile;3-[1-[2-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-2-oxoethyl]-5-phenylpyrazol-3-yl]benzonitrile;3-[1-[2-[4-(5-methyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-oxoethyl]-5-phenylpyrazol-3-yl]benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)-2-oxoethyl]-5-phenylpyrazol-3-yl]benzonitrile;3-[1-[2-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-2-oxoethyl]-5-phenylpyrazol-3-yl]benzonitrile;3-[1-[2-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-2-oxoethyl]-5-phenylpyrazol-3-yl]benzonitrile;3-[1-[2-[4-(5-methyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-oxoethyl]-5-phenylpyrazol-3-yl]benzonitrile?
The IUPAC name of 3-[1-[2-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)-2-oxoethyl]-5-phenylpyrazol-3-yl]benzonitrile;3-[1-[2-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-2-oxoethyl]-5-phenylpyrazol-3-yl]benzonitrile;3-[1-[2-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-2-oxoethyl]-5-phenylpyrazol-3-yl]benzonitrile;3-[1-[2-[4-(5-methyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-oxoethyl]-5-phenylpyrazol-3-yl]benzonitrile (CID 161240513) is 3-[1-[2-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)-2-oxoethyl]-5-phenylpyrazol-3-yl]benzonitrile;3-[1-[2-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-2-oxoethyl]-5-phenylpyrazol-3-yl]benzonitrile;3-[1-[2-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-2-oxoethyl]-5-phenylpyrazol-3-yl]benzonitrile;3-[1-[2-[4-(5-methyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-oxoethyl]-5-phenylpyrazol-3-yl]benzonitrile.
What is the SMILES notation for 3-[1-[2-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)-2-oxoethyl]-5-phenylpyrazol-3-yl]benzonitrile;3-[1-[2-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-2-oxoethyl]-5-phenylpyrazol-3-yl]benzonitrile;3-[1-[2-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-2-oxoethyl]-5-phenylpyrazol-3-yl]benzonitrile;3-[1-[2-[4-(5-methyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-oxoethyl]-5-phenylpyrazol-3-yl]benzonitrile?
The canonical SMILES for 3-[1-[2-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)-2-oxoethyl]-5-phenylpyrazol-3-yl]benzonitrile;3-[1-[2-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-2-oxoethyl]-5-phenylpyrazol-3-yl]benzonitrile;3-[1-[2-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-2-oxoethyl]-5-phenylpyrazol-3-yl]benzonitrile;3-[1-[2-[4-(5-methyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-oxoethyl]-5-phenylpyrazol-3-yl]benzonitrile is Cc1cnc(C2CCN(C(=O)Cn3nc(-c4cccc(C#N)c4)cc3-c3ccccc3)CC2)o1.Cc1nc2c(s1)CN(C(=O)Cn1nc(-c3cccc(C#N)c3)cc1-c1ccccc1)C2.Cc1nnc(C2CCN(C(=O)Cn3nc(-c4cccc(C#N)c4)cc3-c3ccccc3)CC2)o1.Cc1nnc(N2CCN(C(=O)Cn3nc(-c4cccc(C#N)c4)cc3-c3ccccc3)CC2)o1.
What is the InChIKey of 3-[1-[2-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)-2-oxoethyl]-5-phenylpyrazol-3-yl]benzonitrile;3-[1-[2-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-2-oxoethyl]-5-phenylpyrazol-3-yl]benzonitrile;3-[1-[2-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-2-oxoethyl]-5-phenylpyrazol-3-yl]benzonitrile;3-[1-[2-[4-(5-methyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-oxoethyl]-5-phenylpyrazol-3-yl]benzonitrile?
The InChIKey is UZXYLTYKTFXGRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N5O2.C26H24N6O2.C25H23N7O2.C24H19N5OS/c1-19-17-29-27(34-19)22-10-12-31(13-11-22)26(33)18-32-25(21-7-3-2-4-8-21)15-24(30-32)23-9-5-6-20(14-23)16-28;1-18-28-29-26(34-18)21-10-12-31(13-11-21)25(33)17-32-24(20-7-3-2-4-8-20)15-23(30-32)22-9-5-6-19(14-22)16-27;1-18-27-28-25(34-18)31-12-10-30(11-13-31)24(33)17-32-23(20-7-3-2-4-8-20)15-22(29-32)21-9-5-6-19(14-21)16-26;1-16-26-21-13-28(14-23(21)31-16)24(30)15-29-22(18-7-3-2-4-8-18)11-20(27-29)19-9-5-6-17(10-19)12-25/h2-9,14-15,17,22H,10-13,18H2,1H3;2-9,14-15,21H,10-13,17H2,1H3;2-9,14-15H,10-13,17H2,1H3;2-11H,13-15H2,1H3.
What are the key properties of 3-[1-[2-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)-2-oxoethyl]-5-phenylpyrazol-3-yl]benzonitrile;3-[1-[2-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-2-oxoethyl]-5-phenylpyrazol-3-yl]benzonitrile;3-[1-[2-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-2-oxoethyl]-5-phenylpyrazol-3-yl]benzonitrile;3-[1-[2-[4-(5-methyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-oxoethyl]-5-phenylpyrazol-3-yl]benzonitrile?
3-[1-[2-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)-2-oxoethyl]-5-phenylpyrazol-3-yl]benzonitrile;3-[1-[2-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-2-oxoethyl]-5-phenylpyrazol-3-yl]benzonitrile;3-[1-[2-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-2-oxoethyl]-5-phenylpyrazol-3-yl]benzonitrile;3-[1-[2-[4-(5-methyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-oxoethyl]-5-phenylpyrazol-3-yl]benzonitrile has a molecular weight of 1783.07 g/mol, XLogP of 16.50, 19 rotatable bonds, 0 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)-2-oxoethyl]-5-phenylpyrazol-3-yl]benzonitrile;3-[1-[2-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-2-oxoethyl]-5-phenylpyrazol-3-yl]benzonitrile;3-[1-[2-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-2-oxoethyl]-5-phenylpyrazol-3-yl]benzonitrile;3-[1-[2-[4-(5-methyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-oxoethyl]-5-phenylpyrazol-3-yl]benzonitrile is sourced from PubChem (CID 161240513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).