N-[2-amino-5-(furan-2-yl)phenyl]-4-(indazol-1-ylmethyl)benzamide;N-[2-amino-5-(furan-2-yl)phenyl]-4-(indazol-2-ylmethyl)benzamide;N-(2-aminophenyl)-4-[[3-(dimethylamino)indazol-2-yl]methyl]benzamide;N-(2-aminophenyl)-4-[(3-methoxyindazol-1-yl)methyl]benzamide;N-(2-aminophenyl)-4-[(3-methoxyindazol-2-yl)methyl]benzamide;N-(2-aminophenyl)-4-[[3-(methoxymethylamino)indazol-1-yl]methyl]benzamide;N-(2-aminophenyl)-4-[[3-(methoxymethylamino)indazol-2-yl]methyl]benzamide

C163H149N31O13 — CID 159894539

IUPACN-[2-amino-5-(furan-2-yl)phenyl]-4-(indazol-1-ylmethyl)benzamide;N-[2-amino-5-(furan-2-yl)phenyl]-4-(indazol-2-ylmethyl)benzamide;N-(2-aminophenyl)-4-[[3-(dimethylamino)indazol-2-yl]methyl]benzamide;N-(2-aminophenyl)-4-[(3-methoxyindazol-1-yl)methyl]benzamide;N-(2-aminophenyl)-4-[(3-methoxyindazol-2-yl)methyl]benzamide;N-(2-aminophenyl)-4-[[3-(methoxymethylamino)indazol-1-yl]methyl]benzamide;N-(2-aminophenyl)-4-[[3-(methoxymethylamino)indazol-2-yl]methyl]benzamide
SMILESCN(C)c1c2ccccc2nn1Cc1ccc(C(=O)Nc2ccccc2N)cc1.COCNc1c2ccccc2nn1Cc1ccc(C(=O)Nc2ccccc2N)cc1.COCNc1nn(Cc2ccc(C(=O)Nc3ccccc3N)cc2)c2ccccc12.COc1c2ccccc2nn1Cc1ccc(C(=O)Nc2ccccc2N)cc1.COc1nn(Cc2ccc(C(=O)Nc3ccccc3N)cc2)c2ccccc12.Nc1ccc(-c2ccco2)cc1NC(=O)c1ccc(Cn2cc3ccccc3n2)cc1.Nc1ccc(-c2ccco2)cc1NC(=O)c1ccc(Cn2ncc3ccccc32)cc1
InChIInChI=1S/2C25H20N4O2.2C23H23N5O2.C23H23N5O.2C22H20N4O2/c26-21-12-11-19(24-6-3-13-31-24)14-22(21)28-25(30)18-9-7-17(8-10-18)16-29-23-5-2-1-4-20(23)15-27-29;26-21-12-11-19(24-6-3-13-31-24)14-23(21)27-25(30)18-9-7-17(8-10-18)15-29-16-20-4-1-2-5-22(20)28-29;1-30-15-25-22-18-6-2-5-9-21(18)28(27-22)14-16-10-12-17(13-11-16)23(29)26-20-8-4-3-7-19(20)24;1-30-15-25-22-18-6-2-4-8-20(18)27-28(22)14-16-10-12-17(13-11-16)23(29)26-21-9-5-3-7-19(21)24;1-27(2)23-18-7-3-5-9-20(18)26-28(23)15-16-11-13-17(14-12-16)22(29)25-21-10-6-4-8-19(21)24;1-28-22-17-6-2-5-9-20(17)26(25-22)14-15-10-12-16(13-11-15)21(27)24-19-8-4-3-7-18(19)23;1-28-22-17-6-2-4-8-19(17)25-26(22)14-15-10-12-16(13-11-15)21(27)24-20-9-5-3-7-18(20)23/h1-15H,16,26H2,(H,28,30);1-14,16H,15,26H2,(H,27,30);2-13H,14-15,24H2,1H3,(H,25,27)(H,26,29);2-13,25H,14-15,24H2,1H3,(H,26,29);3-14H,15,24H2,1-2H3,(H,25,29);2*2-13H,14,23H2,1H3,(H,24,27)
InChIKeyNVEFOZFGRMXIII-UHFFFAOYSA-N
MW2750.19 g/mol
LogP30.07
Rot. Bonds39

About N-[2-amino-5-(furan-2-yl)phenyl]-4-(indazol-1-ylmethyl)benzamide;N-[2-amino-5-(furan-2-yl)phenyl]-4-(indazol-2-ylmethyl)benzamide;N-(2-aminophenyl)-4-[[3-(dimethylamino)indazol-2-yl]methyl]benzamide;N-(2-aminophenyl)-4-[(3-methoxyindazol-1-yl)methyl]benzamide;N-(2-aminophenyl)-4-[(3-methoxyindazol-2-yl)methyl]benzamide;N-(2-aminophenyl)-4-[[3-(methoxymethylamino)indazol-1-yl]methyl]benzamide;N-(2-aminophenyl)-4-[[3-(methoxymethylamino)indazol-2-yl]methyl]benzamide

N-[2-amino-5-(furan-2-yl)phenyl]-4-(indazol-1-ylmethyl)benzamide;N-[2-amino-5-(furan-2-yl)phenyl]-4-(indazol-2-ylmethyl)benzamide;N-(2-aminophenyl)-4-[[3-(dimethylamino)indazol-2-yl]methyl]benzamide;N-(2-aminophenyl)-4-[(3-methoxyindazol-1-yl)methyl]benzamide;N-(2-aminophenyl)-4-[(3-methoxyindazol-2-yl)methyl]benzamide;N-(2-aminophenyl)-4-[[3-(methoxymethylamino)indazol-1-yl]methyl]benzamide;N-(2-aminophenyl)-4-[[3-(methoxymethylamino)indazol-2-yl]methyl]benzamide (PubChem CID 159894539) has the molecular formula C163H149N31O13 and a molecular weight of 2750.19 g/mol. Its IUPAC name is N-[2-amino-5-(furan-2-yl)phenyl]-4-(indazol-1-ylmethyl)benzamide;N-[2-amino-5-(furan-2-yl)phenyl]-4-(indazol-2-ylmethyl)benzamide;N-(2-aminophenyl)-4-[[3-(dimethylamino)indazol-2-yl]methyl]benzamide;N-(2-aminophenyl)-4-[(3-methoxyindazol-1-yl)methyl]benzamide;N-(2-aminophenyl)-4-[(3-methoxyindazol-2-yl)methyl]benzamide;N-(2-aminophenyl)-4-[[3-(methoxymethylamino)indazol-1-yl]methyl]benzamide;N-(2-aminophenyl)-4-[[3-(methoxymethylamino)indazol-2-yl]methyl]benzamide.

Molecular Properties

Compound NameN-[2-amino-5-(furan-2-yl)phenyl]-4-(indazol-1-ylmethyl)benzamide;N-[2-amino-5-(furan-2-yl)phenyl]-4-(indazol-2-ylmethyl)benzamide;N-(2-aminophenyl)-4-[[3-(dimethylamino)indazol-2-yl]methyl]benzamide;N-(2-aminophenyl)-4-[(3-methoxyindazol-1-yl)methyl]benzamide;N-(2-aminophenyl)-4-[(3-methoxyindazol-2-yl)methyl]benzamide;N-(2-aminophenyl)-4-[[3-(methoxymethylamino)indazol-1-yl]methyl]benzamide;N-(2-aminophenyl)-4-[[3-(methoxymethylamino)indazol-2-yl]methyl]benzamide
PubChem CID159894539
Molecular FormulaC163H149N31O13
Molecular Weight2750.19 g/mol
Exact Mass2748.20
IUPAC NameN-[2-amino-5-(furan-2-yl)phenyl]-4-(indazol-1-ylmethyl)benzamide;N-[2-amino-5-(furan-2-yl)phenyl]-4-(indazol-2-ylmethyl)benzamide;N-(2-aminophenyl)-4-[[3-(dimethylamino)indazol-2-yl]methyl]benzamide;N-(2-aminophenyl)-4-[(3-methoxyindazol-1-yl)methyl]benzamide;N-(2-aminophenyl)-4-[(3-methoxyindazol-2-yl)methyl]benzamide;N-(2-aminophenyl)-4-[[3-(methoxymethylamino)indazol-1-yl]methyl]benzamide;N-(2-aminophenyl)-4-[[3-(methoxymethylamino)indazol-2-yl]methyl]benzamide
SMILESCN(C)c1c2ccccc2nn1Cc1ccc(C(=O)Nc2ccccc2N)cc1.COCNc1c2ccccc2nn1Cc1ccc(C(=O)Nc2ccccc2N)cc1.COCNc1nn(Cc2ccc(C(=O)Nc3ccccc3N)cc2)c2ccccc12.COc1c2ccccc2nn1Cc1ccc(C(=O)Nc2ccccc2N)cc1.COc1nn(Cc2ccc(C(=O)Nc3ccccc3N)cc2)c2ccccc12.Nc1ccc(-c2ccco2)cc1NC(=O)c1ccc(Cn2cc3ccccc3n2)cc1.Nc1ccc(-c2ccco2)cc1NC(=O)c1ccc(Cn2ncc3ccccc32)cc1
InChIInChI=1S/2C25H20N4O2.2C23H23N5O2.C23H23N5O.2C22H20N4O2/c26-21-12-11-19(24-6-3-13-31-24)14-22(21)28-25(30)18-9-7-17(8-10-18)16-29-23-5-2-1-4-20(23)15-27-29;26-21-12-11-19(24-6-3-13-31-24)14-23(21)27-25(30)18-9-7-17(8-10-18)15-29-16-20-4-1-2-5-22(20)28-29;1-30-15-25-22-18-6-2-5-9-21(18)28(27-22)14-16-10-12-17(13-11-16)23(29)26-20-8-4-3-7-19(20)24;1-30-15-25-22-18-6-2-4-8-20(18)27-28(22)14-16-10-12-17(13-11-16)23(29)26-21-9-5-3-7-19(21)24;1-27(2)23-18-7-3-5-9-20(18)26-28(23)15-16-11-13-17(14-12-16)22(29)25-21-10-6-4-8-19(21)24;1-28-22-17-6-2-5-9-20(17)26(25-22)14-15-10-12-16(13-11-15)21(27)24-19-8-4-3-7-18(19)23;1-28-22-17-6-2-4-8-19(17)25-26(22)14-15-10-12-16(13-11-15)21(27)24-20-9-5-3-7-18(20)23/h1-15H,16,26H2,(H,28,30);1-14,16H,15,26H2,(H,27,30);2-13H,14-15,24H2,1H3,(H,25,27)(H,26,29);2-13,25H,14-15,24H2,1H3,(H,26,29);3-14H,15,24H2,1-2H3,(H,25,29);2*2-13H,14,23H2,1H3,(H,24,27)
InChIKeyNVEFOZFGRMXIII-UHFFFAOYSA-N
XLogP30.07
TPSA601.08 Ų
H-Bond Donors16
H-Bond Acceptors37
Rotatable Bonds39
Heavy Atoms207
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002750.19
LogP ≤ 530.07
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1037

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze N-[2-amino-5-(furan-2-yl)phenyl]-4-(indazol-1-ylmethyl)benzamide;N-[2-amino-5-(furan-2-yl)phenyl]-4-(indazol-2-ylmethyl)benzamide;N-(2-aminophenyl)-4-[[3-(dimethylamino)indazol-2-yl]methyl]benzamide;N-(2-aminophenyl)-4-[(3-methoxyindazol-1-yl)methyl]benzamide;N-(2-aminophenyl)-4-[(3-methoxyindazol-2-yl)methyl]benzamide;N-(2-aminophenyl)-4-[[3-(methoxymethylamino)indazol-1-yl]methyl]benzamide;N-(2-aminophenyl)-4-[[3-(methoxymethylamino)indazol-2-yl]methyl]benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-amino-5-(furan-2-yl)phenyl]-4-(indazol-1-ylmethyl)benzamide;N-[2-amino-5-(furan-2-yl)phenyl]-4-(indazol-2-ylmethyl)benzamide;N-(2-aminophenyl)-4-[[3-(dimethylamino)indazol-2-yl]methyl]benzamide;N-(2-aminophenyl)-4-[(3-methoxyindazol-1-yl)methyl]benzamide;N-(2-aminophenyl)-4-[(3-methoxyindazol-2-yl)methyl]benzamide;N-(2-aminophenyl)-4-[[3-(methoxymethylamino)indazol-1-yl]methyl]benzamide;N-(2-aminophenyl)-4-[[3-(methoxymethylamino)indazol-2-yl]methyl]benzamide?
The IUPAC name of N-[2-amino-5-(furan-2-yl)phenyl]-4-(indazol-1-ylmethyl)benzamide;N-[2-amino-5-(furan-2-yl)phenyl]-4-(indazol-2-ylmethyl)benzamide;N-(2-aminophenyl)-4-[[3-(dimethylamino)indazol-2-yl]methyl]benzamide;N-(2-aminophenyl)-4-[(3-methoxyindazol-1-yl)methyl]benzamide;N-(2-aminophenyl)-4-[(3-methoxyindazol-2-yl)methyl]benzamide;N-(2-aminophenyl)-4-[[3-(methoxymethylamino)indazol-1-yl]methyl]benzamide;N-(2-aminophenyl)-4-[[3-(methoxymethylamino)indazol-2-yl]methyl]benzamide (CID 159894539) is N-[2-amino-5-(furan-2-yl)phenyl]-4-(indazol-1-ylmethyl)benzamide;N-[2-amino-5-(furan-2-yl)phenyl]-4-(indazol-2-ylmethyl)benzamide;N-(2-aminophenyl)-4-[[3-(dimethylamino)indazol-2-yl]methyl]benzamide;N-(2-aminophenyl)-4-[(3-methoxyindazol-1-yl)methyl]benzamide;N-(2-aminophenyl)-4-[(3-methoxyindazol-2-yl)methyl]benzamide;N-(2-aminophenyl)-4-[[3-(methoxymethylamino)indazol-1-yl]methyl]benzamide;N-(2-aminophenyl)-4-[[3-(methoxymethylamino)indazol-2-yl]methyl]benzamide.
What is the SMILES notation for N-[2-amino-5-(furan-2-yl)phenyl]-4-(indazol-1-ylmethyl)benzamide;N-[2-amino-5-(furan-2-yl)phenyl]-4-(indazol-2-ylmethyl)benzamide;N-(2-aminophenyl)-4-[[3-(dimethylamino)indazol-2-yl]methyl]benzamide;N-(2-aminophenyl)-4-[(3-methoxyindazol-1-yl)methyl]benzamide;N-(2-aminophenyl)-4-[(3-methoxyindazol-2-yl)methyl]benzamide;N-(2-aminophenyl)-4-[[3-(methoxymethylamino)indazol-1-yl]methyl]benzamide;N-(2-aminophenyl)-4-[[3-(methoxymethylamino)indazol-2-yl]methyl]benzamide?
The canonical SMILES for N-[2-amino-5-(furan-2-yl)phenyl]-4-(indazol-1-ylmethyl)benzamide;N-[2-amino-5-(furan-2-yl)phenyl]-4-(indazol-2-ylmethyl)benzamide;N-(2-aminophenyl)-4-[[3-(dimethylamino)indazol-2-yl]methyl]benzamide;N-(2-aminophenyl)-4-[(3-methoxyindazol-1-yl)methyl]benzamide;N-(2-aminophenyl)-4-[(3-methoxyindazol-2-yl)methyl]benzamide;N-(2-aminophenyl)-4-[[3-(methoxymethylamino)indazol-1-yl]methyl]benzamide;N-(2-aminophenyl)-4-[[3-(methoxymethylamino)indazol-2-yl]methyl]benzamide is CN(C)c1c2ccccc2nn1Cc1ccc(C(=O)Nc2ccccc2N)cc1.COCNc1c2ccccc2nn1Cc1ccc(C(=O)Nc2ccccc2N)cc1.COCNc1nn(Cc2ccc(C(=O)Nc3ccccc3N)cc2)c2ccccc12.COc1c2ccccc2nn1Cc1ccc(C(=O)Nc2ccccc2N)cc1.COc1nn(Cc2ccc(C(=O)Nc3ccccc3N)cc2)c2ccccc12.Nc1ccc(-c2ccco2)cc1NC(=O)c1ccc(Cn2cc3ccccc3n2)cc1.Nc1ccc(-c2ccco2)cc1NC(=O)c1ccc(Cn2ncc3ccccc32)cc1.
What is the InChIKey of N-[2-amino-5-(furan-2-yl)phenyl]-4-(indazol-1-ylmethyl)benzamide;N-[2-amino-5-(furan-2-yl)phenyl]-4-(indazol-2-ylmethyl)benzamide;N-(2-aminophenyl)-4-[[3-(dimethylamino)indazol-2-yl]methyl]benzamide;N-(2-aminophenyl)-4-[(3-methoxyindazol-1-yl)methyl]benzamide;N-(2-aminophenyl)-4-[(3-methoxyindazol-2-yl)methyl]benzamide;N-(2-aminophenyl)-4-[[3-(methoxymethylamino)indazol-1-yl]methyl]benzamide;N-(2-aminophenyl)-4-[[3-(methoxymethylamino)indazol-2-yl]methyl]benzamide?
The InChIKey is NVEFOZFGRMXIII-UHFFFAOYSA-N. The full InChI is InChI=1S/2C25H20N4O2.2C23H23N5O2.C23H23N5O.2C22H20N4O2/c26-21-12-11-19(24-6-3-13-31-24)14-22(21)28-25(30)18-9-7-17(8-10-18)16-29-23-5-2-1-4-20(23)15-27-29;26-21-12-11-19(24-6-3-13-31-24)14-23(21)27-25(30)18-9-7-17(8-10-18)15-29-16-20-4-1-2-5-22(20)28-29;1-30-15-25-22-18-6-2-5-9-21(18)28(27-22)14-16-10-12-17(13-11-16)23(29)26-20-8-4-3-7-19(20)24;1-30-15-25-22-18-6-2-4-8-20(18)27-28(22)14-16-10-12-17(13-11-16)23(29)26-21-9-5-3-7-19(21)24;1-27(2)23-18-7-3-5-9-20(18)26-28(23)15-16-11-13-17(14-12-16)22(29)25-21-10-6-4-8-19(21)24;1-28-22-17-6-2-5-9-20(17)26(25-22)14-15-10-12-16(13-11-15)21(27)24-19-8-4-3-7-18(19)23;1-28-22-17-6-2-4-8-19(17)25-26(22)14-15-10-12-16(13-11-15)21(27)24-20-9-5-3-7-18(20)23/h1-15H,16,26H2,(H,28,30);1-14,16H,15,26H2,(H,27,30);2-13H,14-15,24H2,1H3,(H,25,27)(H,26,29);2-13,25H,14-15,24H2,1H3,(H,26,29);3-14H,15,24H2,1-2H3,(H,25,29);2*2-13H,14,23H2,1H3,(H,24,27).
What are the key properties of N-[2-amino-5-(furan-2-yl)phenyl]-4-(indazol-1-ylmethyl)benzamide;N-[2-amino-5-(furan-2-yl)phenyl]-4-(indazol-2-ylmethyl)benzamide;N-(2-aminophenyl)-4-[[3-(dimethylamino)indazol-2-yl]methyl]benzamide;N-(2-aminophenyl)-4-[(3-methoxyindazol-1-yl)methyl]benzamide;N-(2-aminophenyl)-4-[(3-methoxyindazol-2-yl)methyl]benzamide;N-(2-aminophenyl)-4-[[3-(methoxymethylamino)indazol-1-yl]methyl]benzamide;N-(2-aminophenyl)-4-[[3-(methoxymethylamino)indazol-2-yl]methyl]benzamide?
N-[2-amino-5-(furan-2-yl)phenyl]-4-(indazol-1-ylmethyl)benzamide;N-[2-amino-5-(furan-2-yl)phenyl]-4-(indazol-2-ylmethyl)benzamide;N-(2-aminophenyl)-4-[[3-(dimethylamino)indazol-2-yl]methyl]benzamide;N-(2-aminophenyl)-4-[(3-methoxyindazol-1-yl)methyl]benzamide;N-(2-aminophenyl)-4-[(3-methoxyindazol-2-yl)methyl]benzamide;N-(2-aminophenyl)-4-[[3-(methoxymethylamino)indazol-1-yl]methyl]benzamide;N-(2-aminophenyl)-4-[[3-(methoxymethylamino)indazol-2-yl]methyl]benzamide has a molecular weight of 2750.19 g/mol, XLogP of 30.07, 39 rotatable bonds, 16 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-5-(furan-2-yl)phenyl]-4-(indazol-1-ylmethyl)benzamide;N-[2-amino-5-(furan-2-yl)phenyl]-4-(indazol-2-ylmethyl)benzamide;N-(2-aminophenyl)-4-[[3-(dimethylamino)indazol-2-yl]methyl]benzamide;N-(2-aminophenyl)-4-[(3-methoxyindazol-1-yl)methyl]benzamide;N-(2-aminophenyl)-4-[(3-methoxyindazol-2-yl)methyl]benzamide;N-(2-aminophenyl)-4-[[3-(methoxymethylamino)indazol-1-yl]methyl]benzamide;N-(2-aminophenyl)-4-[[3-(methoxymethylamino)indazol-2-yl]methyl]benzamide is sourced from PubChem (CID 159894539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).