bis(6-[2-[2-(3-methylphenyl)ethyl]-5-(1-propan-2-ylpyrazol-3-yl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine);6-[2-(2-phenylethyl)-5-(1-propan-2-ylpyrazol-3-yl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine;4-[5-(1-propan-2-ylpyrazol-3-yl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]benzamide

C93H93N29O — CID 163671690

IUPACbis(6-[2-[2-(3-methylphenyl)ethyl]-5-(1-propan-2-ylpyrazol-3-yl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine);6-[2-(2-phenylethyl)-5-(1-propan-2-ylpyrazol-3-yl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine;4-[5-(1-propan-2-ylpyrazol-3-yl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]benzamide
SMILESCC(C)n1ccc(-c2[nH]c(-c3ccc(C(N)=O)cc3)nc2-c2ccc3ncnn3c2)n1.CC(C)n1ccc(-c2[nH]c(CCc3ccccc3)nc2-c2ccc3ncnn3c2)n1.Cc1cccc(CCc2nc(-c3ccc4ncnn4c3)c(-c3ccn(C(C)C)n3)[nH]2)c1.Cc1cccc(CCc2nc(-c3ccc4ncnn4c3)c(-c3ccn(C(C)C)n3)[nH]2)c1
InChIInChI=1S/2C24H25N7.C23H23N7.C22H20N8O/c2*1-16(2)30-12-11-20(29-30)24-23(19-8-10-22-25-15-26-31(22)14-19)27-21(28-24)9-7-18-6-4-5-17(3)13-18;1-16(2)29-13-12-19(28-29)23-22(18-9-11-21-24-15-25-30(21)14-18)26-20(27-23)10-8-17-6-4-3-5-7-17;1-13(2)29-10-9-17(28-29)20-19(16-7-8-18-24-12-25-30(18)11-16)26-22(27-20)15-5-3-14(4-6-15)21(23)31/h2*4-6,8,10-16H,7,9H2,1-3H3,(H,27,28);3-7,9,11-16H,8,10H2,1-2H3,(H,26,27);3-13H,1-2H3,(H2,23,31)(H,26,27)
InChIKeyJDCNTONEPFOKSF-UHFFFAOYSA-N
MW1632.97 g/mol
LogP16.99
Rot. Bonds23

About bis(6-[2-[2-(3-methylphenyl)ethyl]-5-(1-propan-2-ylpyrazol-3-yl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine);6-[2-(2-phenylethyl)-5-(1-propan-2-ylpyrazol-3-yl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine;4-[5-(1-propan-2-ylpyrazol-3-yl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]benzamide

bis(6-[2-[2-(3-methylphenyl)ethyl]-5-(1-propan-2-ylpyrazol-3-yl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine);6-[2-(2-phenylethyl)-5-(1-propan-2-ylpyrazol-3-yl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine;4-[5-(1-propan-2-ylpyrazol-3-yl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]benzamide (PubChem CID 163671690) has the molecular formula C93H93N29O and a molecular weight of 1632.97 g/mol. Its IUPAC name is bis(6-[2-[2-(3-methylphenyl)ethyl]-5-(1-propan-2-ylpyrazol-3-yl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine);6-[2-(2-phenylethyl)-5-(1-propan-2-ylpyrazol-3-yl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine;4-[5-(1-propan-2-ylpyrazol-3-yl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]benzamide.

Molecular Properties

Compound Namebis(6-[2-[2-(3-methylphenyl)ethyl]-5-(1-propan-2-ylpyrazol-3-yl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine);6-[2-(2-phenylethyl)-5-(1-propan-2-ylpyrazol-3-yl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine;4-[5-(1-propan-2-ylpyrazol-3-yl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]benzamide
PubChem CID163671690
Molecular FormulaC93H93N29O
Molecular Weight1632.97 g/mol
Exact Mass1631.81
IUPAC Namebis(6-[2-[2-(3-methylphenyl)ethyl]-5-(1-propan-2-ylpyrazol-3-yl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine);6-[2-(2-phenylethyl)-5-(1-propan-2-ylpyrazol-3-yl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine;4-[5-(1-propan-2-ylpyrazol-3-yl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]benzamide
SMILESCC(C)n1ccc(-c2[nH]c(-c3ccc(C(N)=O)cc3)nc2-c2ccc3ncnn3c2)n1.CC(C)n1ccc(-c2[nH]c(CCc3ccccc3)nc2-c2ccc3ncnn3c2)n1.Cc1cccc(CCc2nc(-c3ccc4ncnn4c3)c(-c3ccn(C(C)C)n3)[nH]2)c1.Cc1cccc(CCc2nc(-c3ccc4ncnn4c3)c(-c3ccn(C(C)C)n3)[nH]2)c1
InChIInChI=1S/2C24H25N7.C23H23N7.C22H20N8O/c2*1-16(2)30-12-11-20(29-30)24-23(19-8-10-22-25-15-26-31(22)14-19)27-21(28-24)9-7-18-6-4-5-17(3)13-18;1-16(2)29-13-12-19(28-29)23-22(18-9-11-21-24-15-25-30(21)14-18)26-20(27-23)10-8-17-6-4-3-5-7-17;1-13(2)29-10-9-17(28-29)20-19(16-7-8-18-24-12-25-30(18)11-16)26-22(27-20)15-5-3-14(4-6-15)21(23)31/h2*4-6,8,10-16H,7,9H2,1-3H3,(H,27,28);3-7,9,11-16H,8,10H2,1-2H3,(H,26,27);3-13H,1-2H3,(H2,23,31)(H,26,27)
InChIKeyJDCNTONEPFOKSF-UHFFFAOYSA-N
XLogP16.99
TPSA349.85 Ų
H-Bond Donors5
H-Bond Acceptors25
Rotatable Bonds23
Heavy Atoms123
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001632.97
LogP ≤ 516.99
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1025

Analyze bis(6-[2-[2-(3-methylphenyl)ethyl]-5-(1-propan-2-ylpyrazol-3-yl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine);6-[2-(2-phenylethyl)-5-(1-propan-2-ylpyrazol-3-yl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine;4-[5-(1-propan-2-ylpyrazol-3-yl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]benzamide 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 bis(6-[2-[2-(3-methylphenyl)ethyl]-5-(1-propan-2-ylpyrazol-3-yl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine);6-[2-(2-phenylethyl)-5-(1-propan-2-ylpyrazol-3-yl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine;4-[5-(1-propan-2-ylpyrazol-3-yl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]benzamide?
The IUPAC name of bis(6-[2-[2-(3-methylphenyl)ethyl]-5-(1-propan-2-ylpyrazol-3-yl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine);6-[2-(2-phenylethyl)-5-(1-propan-2-ylpyrazol-3-yl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine;4-[5-(1-propan-2-ylpyrazol-3-yl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]benzamide (CID 163671690) is bis(6-[2-[2-(3-methylphenyl)ethyl]-5-(1-propan-2-ylpyrazol-3-yl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine);6-[2-(2-phenylethyl)-5-(1-propan-2-ylpyrazol-3-yl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine;4-[5-(1-propan-2-ylpyrazol-3-yl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]benzamide.
What is the SMILES notation for bis(6-[2-[2-(3-methylphenyl)ethyl]-5-(1-propan-2-ylpyrazol-3-yl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine);6-[2-(2-phenylethyl)-5-(1-propan-2-ylpyrazol-3-yl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine;4-[5-(1-propan-2-ylpyrazol-3-yl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]benzamide?
The canonical SMILES for bis(6-[2-[2-(3-methylphenyl)ethyl]-5-(1-propan-2-ylpyrazol-3-yl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine);6-[2-(2-phenylethyl)-5-(1-propan-2-ylpyrazol-3-yl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine;4-[5-(1-propan-2-ylpyrazol-3-yl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]benzamide is CC(C)n1ccc(-c2[nH]c(-c3ccc(C(N)=O)cc3)nc2-c2ccc3ncnn3c2)n1.CC(C)n1ccc(-c2[nH]c(CCc3ccccc3)nc2-c2ccc3ncnn3c2)n1.Cc1cccc(CCc2nc(-c3ccc4ncnn4c3)c(-c3ccn(C(C)C)n3)[nH]2)c1.Cc1cccc(CCc2nc(-c3ccc4ncnn4c3)c(-c3ccn(C(C)C)n3)[nH]2)c1.
What is the InChIKey of bis(6-[2-[2-(3-methylphenyl)ethyl]-5-(1-propan-2-ylpyrazol-3-yl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine);6-[2-(2-phenylethyl)-5-(1-propan-2-ylpyrazol-3-yl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine;4-[5-(1-propan-2-ylpyrazol-3-yl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]benzamide?
The InChIKey is JDCNTONEPFOKSF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C24H25N7.C23H23N7.C22H20N8O/c2*1-16(2)30-12-11-20(29-30)24-23(19-8-10-22-25-15-26-31(22)14-19)27-21(28-24)9-7-18-6-4-5-17(3)13-18;1-16(2)29-13-12-19(28-29)23-22(18-9-11-21-24-15-25-30(21)14-18)26-20(27-23)10-8-17-6-4-3-5-7-17;1-13(2)29-10-9-17(28-29)20-19(16-7-8-18-24-12-25-30(18)11-16)26-22(27-20)15-5-3-14(4-6-15)21(23)31/h2*4-6,8,10-16H,7,9H2,1-3H3,(H,27,28);3-7,9,11-16H,8,10H2,1-2H3,(H,26,27);3-13H,1-2H3,(H2,23,31)(H,26,27).
What are the key properties of bis(6-[2-[2-(3-methylphenyl)ethyl]-5-(1-propan-2-ylpyrazol-3-yl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine);6-[2-(2-phenylethyl)-5-(1-propan-2-ylpyrazol-3-yl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine;4-[5-(1-propan-2-ylpyrazol-3-yl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]benzamide?
bis(6-[2-[2-(3-methylphenyl)ethyl]-5-(1-propan-2-ylpyrazol-3-yl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine);6-[2-(2-phenylethyl)-5-(1-propan-2-ylpyrazol-3-yl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine;4-[5-(1-propan-2-ylpyrazol-3-yl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]benzamide has a molecular weight of 1632.97 g/mol, XLogP of 16.99, 23 rotatable bonds, 5 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for bis(6-[2-[2-(3-methylphenyl)ethyl]-5-(1-propan-2-ylpyrazol-3-yl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine);6-[2-(2-phenylethyl)-5-(1-propan-2-ylpyrazol-3-yl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine;4-[5-(1-propan-2-ylpyrazol-3-yl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]benzamide is sourced from PubChem (CID 163671690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).