N-[3-(4-acetylphenyl)-1H-indazol-5-yl]-2-(3,4-dimethoxyphenyl)acetamide;N-[3-(4-acetylphenyl)-1H-indazol-5-yl]-2-pyridin-2-ylacetamide;N-[3-(1-benzofuran-2-yl)-1H-indazol-5-yl]-2-hydroxy-2-phenylacetamide;N-[3-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-3-methoxypropanamide;N-(3-naphthalen-2-yl-1H-indazol-5-yl)-4-oxopentanamide

C111H94N16O13S — CID 158726615

IUPACN-[3-(4-acetylphenyl)-1H-indazol-5-yl]-2-(3,4-dimethoxyphenyl)acetamide;N-[3-(4-acetylphenyl)-1H-indazol-5-yl]-2-pyridin-2-ylacetamide;N-[3-(1-benzofuran-2-yl)-1H-indazol-5-yl]-2-hydroxy-2-phenylacetamide;N-[3-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-3-methoxypropanamide;N-(3-naphthalen-2-yl-1H-indazol-5-yl)-4-oxopentanamide
SMILESCC(=O)CCC(=O)Nc1ccc2[nH]nc(-c3ccc4ccccc4c3)c2c1.CC(=O)c1ccc(-c2n[nH]c3ccc(NC(=O)Cc4ccccn4)cc23)cc1.COCCC(=O)Nc1ccc2[nH]nc(-c3cc4ccccc4s3)c2c1.COc1ccc(CC(=O)Nc2ccc3[nH]nc(-c4ccc(C(C)=O)cc4)c3c2)cc1OC.O=C(Nc1ccc2[nH]nc(-c3cc4ccccc4o3)c2c1)C(O)c1ccccc1
InChIInChI=1S/C25H23N3O4.C23H17N3O3.C22H18N4O2.C22H19N3O2.C19H17N3O2S/c1-15(29)17-5-7-18(8-6-17)25-20-14-19(9-10-21(20)27-28-25)26-24(30)13-16-4-11-22(31-2)23(12-16)32-3;27-22(14-6-2-1-3-7-14)23(28)24-16-10-11-18-17(13-16)21(26-25-18)20-12-15-8-4-5-9-19(15)29-20;1-14(27)15-5-7-16(8-6-15)22-19-12-18(9-10-20(19)25-26-22)24-21(28)13-17-4-2-3-11-23-17;1-14(26)6-11-21(27)23-18-9-10-20-19(13-18)22(25-24-20)17-8-7-15-4-2-3-5-16(15)12-17;1-24-9-8-18(23)20-13-6-7-15-14(11-13)19(22-21-15)17-10-12-4-2-3-5-16(12)25-17/h4-12,14H,13H2,1-3H3,(H,26,30)(H,27,28);1-13,22,27H,(H,24,28)(H,25,26);2-12H,13H2,1H3,(H,24,28)(H,25,26);2-5,7-10,12-13H,6,11H2,1H3,(H,23,27)(H,24,25);2-7,10-11H,8-9H2,1H3,(H,20,23)(H,21,22)
InChIKeyIKORSTRWDDYVQW-UHFFFAOYSA-N
MW1892.14 g/mol
LogP22.40
Rot. Bonds26

About N-[3-(4-acetylphenyl)-1H-indazol-5-yl]-2-(3,4-dimethoxyphenyl)acetamide;N-[3-(4-acetylphenyl)-1H-indazol-5-yl]-2-pyridin-2-ylacetamide;N-[3-(1-benzofuran-2-yl)-1H-indazol-5-yl]-2-hydroxy-2-phenylacetamide;N-[3-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-3-methoxypropanamide;N-(3-naphthalen-2-yl-1H-indazol-5-yl)-4-oxopentanamide

N-[3-(4-acetylphenyl)-1H-indazol-5-yl]-2-(3,4-dimethoxyphenyl)acetamide;N-[3-(4-acetylphenyl)-1H-indazol-5-yl]-2-pyridin-2-ylacetamide;N-[3-(1-benzofuran-2-yl)-1H-indazol-5-yl]-2-hydroxy-2-phenylacetamide;N-[3-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-3-methoxypropanamide;N-(3-naphthalen-2-yl-1H-indazol-5-yl)-4-oxopentanamide (PubChem CID 158726615) has the molecular formula C111H94N16O13S and a molecular weight of 1892.14 g/mol. Its IUPAC name is N-[3-(4-acetylphenyl)-1H-indazol-5-yl]-2-(3,4-dimethoxyphenyl)acetamide;N-[3-(4-acetylphenyl)-1H-indazol-5-yl]-2-pyridin-2-ylacetamide;N-[3-(1-benzofuran-2-yl)-1H-indazol-5-yl]-2-hydroxy-2-phenylacetamide;N-[3-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-3-methoxypropanamide;N-(3-naphthalen-2-yl-1H-indazol-5-yl)-4-oxopentanamide.

Molecular Properties

Compound NameN-[3-(4-acetylphenyl)-1H-indazol-5-yl]-2-(3,4-dimethoxyphenyl)acetamide;N-[3-(4-acetylphenyl)-1H-indazol-5-yl]-2-pyridin-2-ylacetamide;N-[3-(1-benzofuran-2-yl)-1H-indazol-5-yl]-2-hydroxy-2-phenylacetamide;N-[3-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-3-methoxypropanamide;N-(3-naphthalen-2-yl-1H-indazol-5-yl)-4-oxopentanamide
PubChem CID158726615
Molecular FormulaC111H94N16O13S
Molecular Weight1892.14 g/mol
Exact Mass1890.69
IUPAC NameN-[3-(4-acetylphenyl)-1H-indazol-5-yl]-2-(3,4-dimethoxyphenyl)acetamide;N-[3-(4-acetylphenyl)-1H-indazol-5-yl]-2-pyridin-2-ylacetamide;N-[3-(1-benzofuran-2-yl)-1H-indazol-5-yl]-2-hydroxy-2-phenylacetamide;N-[3-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-3-methoxypropanamide;N-(3-naphthalen-2-yl-1H-indazol-5-yl)-4-oxopentanamide
SMILESCC(=O)CCC(=O)Nc1ccc2[nH]nc(-c3ccc4ccccc4c3)c2c1.CC(=O)c1ccc(-c2n[nH]c3ccc(NC(=O)Cc4ccccn4)cc23)cc1.COCCC(=O)Nc1ccc2[nH]nc(-c3cc4ccccc4s3)c2c1.COc1ccc(CC(=O)Nc2ccc3[nH]nc(-c4ccc(C(C)=O)cc4)c3c2)cc1OC.O=C(Nc1ccc2[nH]nc(-c3cc4ccccc4o3)c2c1)C(O)c1ccccc1
InChIInChI=1S/C25H23N3O4.C23H17N3O3.C22H18N4O2.C22H19N3O2.C19H17N3O2S/c1-15(29)17-5-7-18(8-6-17)25-20-14-19(9-10-21(20)27-28-25)26-24(30)13-16-4-11-22(31-2)23(12-16)32-3;27-22(14-6-2-1-3-7-14)23(28)24-16-10-11-18-17(13-16)21(26-25-18)20-12-15-8-4-5-9-19(15)29-20;1-14(27)15-5-7-16(8-6-15)22-19-12-18(9-10-20(19)25-26-22)24-21(28)13-17-4-2-3-11-23-17;1-14(26)6-11-21(27)23-18-9-10-20-19(13-18)22(25-24-20)17-8-7-15-4-2-3-5-16(15)12-17;1-24-9-8-18(23)20-13-6-7-15-14(11-13)19(22-21-15)17-10-12-4-2-3-5-16(12)25-17/h4-12,14H,13H2,1-3H3,(H,26,30)(H,27,28);1-13,22,27H,(H,24,28)(H,25,26);2-12H,13H2,1H3,(H,24,28)(H,25,26);2-5,7-10,12-13H,6,11H2,1H3,(H,23,27)(H,24,25);2-7,10-11H,8-9H2,1H3,(H,20,23)(H,21,22)
InChIKeyIKORSTRWDDYVQW-UHFFFAOYSA-N
XLogP22.40
TPSA414.06 Ų
H-Bond Donors11
H-Bond Acceptors20
Rotatable Bonds26
Heavy Atoms141
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001892.14
LogP ≤ 522.40
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1020

Analyze N-[3-(4-acetylphenyl)-1H-indazol-5-yl]-2-(3,4-dimethoxyphenyl)acetamide;N-[3-(4-acetylphenyl)-1H-indazol-5-yl]-2-pyridin-2-ylacetamide;N-[3-(1-benzofuran-2-yl)-1H-indazol-5-yl]-2-hydroxy-2-phenylacetamide;N-[3-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-3-methoxypropanamide;N-(3-naphthalen-2-yl-1H-indazol-5-yl)-4-oxopentanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-acetylphenyl)-1H-indazol-5-yl]-2-(3,4-dimethoxyphenyl)acetamide;N-[3-(4-acetylphenyl)-1H-indazol-5-yl]-2-pyridin-2-ylacetamide;N-[3-(1-benzofuran-2-yl)-1H-indazol-5-yl]-2-hydroxy-2-phenylacetamide;N-[3-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-3-methoxypropanamide;N-(3-naphthalen-2-yl-1H-indazol-5-yl)-4-oxopentanamide?
The IUPAC name of N-[3-(4-acetylphenyl)-1H-indazol-5-yl]-2-(3,4-dimethoxyphenyl)acetamide;N-[3-(4-acetylphenyl)-1H-indazol-5-yl]-2-pyridin-2-ylacetamide;N-[3-(1-benzofuran-2-yl)-1H-indazol-5-yl]-2-hydroxy-2-phenylacetamide;N-[3-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-3-methoxypropanamide;N-(3-naphthalen-2-yl-1H-indazol-5-yl)-4-oxopentanamide (CID 158726615) is N-[3-(4-acetylphenyl)-1H-indazol-5-yl]-2-(3,4-dimethoxyphenyl)acetamide;N-[3-(4-acetylphenyl)-1H-indazol-5-yl]-2-pyridin-2-ylacetamide;N-[3-(1-benzofuran-2-yl)-1H-indazol-5-yl]-2-hydroxy-2-phenylacetamide;N-[3-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-3-methoxypropanamide;N-(3-naphthalen-2-yl-1H-indazol-5-yl)-4-oxopentanamide.
What is the SMILES notation for N-[3-(4-acetylphenyl)-1H-indazol-5-yl]-2-(3,4-dimethoxyphenyl)acetamide;N-[3-(4-acetylphenyl)-1H-indazol-5-yl]-2-pyridin-2-ylacetamide;N-[3-(1-benzofuran-2-yl)-1H-indazol-5-yl]-2-hydroxy-2-phenylacetamide;N-[3-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-3-methoxypropanamide;N-(3-naphthalen-2-yl-1H-indazol-5-yl)-4-oxopentanamide?
The canonical SMILES for N-[3-(4-acetylphenyl)-1H-indazol-5-yl]-2-(3,4-dimethoxyphenyl)acetamide;N-[3-(4-acetylphenyl)-1H-indazol-5-yl]-2-pyridin-2-ylacetamide;N-[3-(1-benzofuran-2-yl)-1H-indazol-5-yl]-2-hydroxy-2-phenylacetamide;N-[3-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-3-methoxypropanamide;N-(3-naphthalen-2-yl-1H-indazol-5-yl)-4-oxopentanamide is CC(=O)CCC(=O)Nc1ccc2[nH]nc(-c3ccc4ccccc4c3)c2c1.CC(=O)c1ccc(-c2n[nH]c3ccc(NC(=O)Cc4ccccn4)cc23)cc1.COCCC(=O)Nc1ccc2[nH]nc(-c3cc4ccccc4s3)c2c1.COc1ccc(CC(=O)Nc2ccc3[nH]nc(-c4ccc(C(C)=O)cc4)c3c2)cc1OC.O=C(Nc1ccc2[nH]nc(-c3cc4ccccc4o3)c2c1)C(O)c1ccccc1.
What is the InChIKey of N-[3-(4-acetylphenyl)-1H-indazol-5-yl]-2-(3,4-dimethoxyphenyl)acetamide;N-[3-(4-acetylphenyl)-1H-indazol-5-yl]-2-pyridin-2-ylacetamide;N-[3-(1-benzofuran-2-yl)-1H-indazol-5-yl]-2-hydroxy-2-phenylacetamide;N-[3-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-3-methoxypropanamide;N-(3-naphthalen-2-yl-1H-indazol-5-yl)-4-oxopentanamide?
The InChIKey is IKORSTRWDDYVQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O4.C23H17N3O3.C22H18N4O2.C22H19N3O2.C19H17N3O2S/c1-15(29)17-5-7-18(8-6-17)25-20-14-19(9-10-21(20)27-28-25)26-24(30)13-16-4-11-22(31-2)23(12-16)32-3;27-22(14-6-2-1-3-7-14)23(28)24-16-10-11-18-17(13-16)21(26-25-18)20-12-15-8-4-5-9-19(15)29-20;1-14(27)15-5-7-16(8-6-15)22-19-12-18(9-10-20(19)25-26-22)24-21(28)13-17-4-2-3-11-23-17;1-14(26)6-11-21(27)23-18-9-10-20-19(13-18)22(25-24-20)17-8-7-15-4-2-3-5-16(15)12-17;1-24-9-8-18(23)20-13-6-7-15-14(11-13)19(22-21-15)17-10-12-4-2-3-5-16(12)25-17/h4-12,14H,13H2,1-3H3,(H,26,30)(H,27,28);1-13,22,27H,(H,24,28)(H,25,26);2-12H,13H2,1H3,(H,24,28)(H,25,26);2-5,7-10,12-13H,6,11H2,1H3,(H,23,27)(H,24,25);2-7,10-11H,8-9H2,1H3,(H,20,23)(H,21,22).
What are the key properties of N-[3-(4-acetylphenyl)-1H-indazol-5-yl]-2-(3,4-dimethoxyphenyl)acetamide;N-[3-(4-acetylphenyl)-1H-indazol-5-yl]-2-pyridin-2-ylacetamide;N-[3-(1-benzofuran-2-yl)-1H-indazol-5-yl]-2-hydroxy-2-phenylacetamide;N-[3-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-3-methoxypropanamide;N-(3-naphthalen-2-yl-1H-indazol-5-yl)-4-oxopentanamide?
N-[3-(4-acetylphenyl)-1H-indazol-5-yl]-2-(3,4-dimethoxyphenyl)acetamide;N-[3-(4-acetylphenyl)-1H-indazol-5-yl]-2-pyridin-2-ylacetamide;N-[3-(1-benzofuran-2-yl)-1H-indazol-5-yl]-2-hydroxy-2-phenylacetamide;N-[3-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-3-methoxypropanamide;N-(3-naphthalen-2-yl-1H-indazol-5-yl)-4-oxopentanamide has a molecular weight of 1892.14 g/mol, XLogP of 22.40, 26 rotatable bonds, 11 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-acetylphenyl)-1H-indazol-5-yl]-2-(3,4-dimethoxyphenyl)acetamide;N-[3-(4-acetylphenyl)-1H-indazol-5-yl]-2-pyridin-2-ylacetamide;N-[3-(1-benzofuran-2-yl)-1H-indazol-5-yl]-2-hydroxy-2-phenylacetamide;N-[3-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-3-methoxypropanamide;N-(3-naphthalen-2-yl-1H-indazol-5-yl)-4-oxopentanamide is sourced from PubChem (CID 158726615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).