1-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]indazole-3-carboxylic acid;2-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]indazole-3-carboxylic acid;N-(2-aminophenyl)-4-[(3-cyanoindazol-2-yl)methyl]benzamide;N-(2-aminophenyl)-4-[(3-isocyanoindazol-1-yl)methyl]benzamide;N-(2-aminophenyl)-4-[(5-isocyanoindazol-1-yl)methyl]benzamide;N-(2-aminophenyl)-4-[(5-isocyanoindazol-2-yl)methyl]benzamide;N-(2-aminophenyl)-4-[(3-pyridin-2-ylindazol-1-yl)methyl]benzamide

C158H125N33O11 — CID 157469727

IUPAC1-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]indazole-3-carboxylic acid;2-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]indazole-3-carboxylic acid;N-(2-aminophenyl)-4-[(3-cyanoindazol-2-yl)methyl]benzamide;N-(2-aminophenyl)-4-[(3-isocyanoindazol-1-yl)methyl]benzamide;N-(2-aminophenyl)-4-[(5-isocyanoindazol-1-yl)methyl]benzamide;N-(2-aminophenyl)-4-[(5-isocyanoindazol-2-yl)methyl]benzamide;N-(2-aminophenyl)-4-[(3-pyridin-2-ylindazol-1-yl)methyl]benzamide
SMILESN#Cc1c2ccccc2nn1Cc1ccc(C(=O)Nc2ccccc2N)cc1.Nc1ccccc1NC(=O)c1ccc(Cn2nc(-c3ccccn3)c3ccccc32)cc1.Nc1ccccc1NC(=O)c1ccc(Cn2nc(C(=O)O)c3ccccc32)cc1.Nc1ccccc1NC(=O)c1ccc(Cn2nc3ccccc3c2C(=O)O)cc1.[C-]#[N+]c1ccc2c(cnn2Cc2ccc(C(=O)Nc3ccccc3N)cc2)c1.[C-]#[N+]c1ccc2nn(Cc3ccc(C(=O)Nc4ccccc4N)cc3)cc2c1.[C-]#[N+]c1nn(Cc2ccc(C(=O)Nc3ccccc3N)cc2)c2ccccc12
InChIInChI=1S/C26H21N5O.4C22H17N5O.2C22H18N4O3/c27-21-8-2-3-9-22(21)29-26(32)19-14-12-18(13-15-19)17-31-24-11-4-1-7-20(24)25(30-31)23-10-5-6-16-28-23;1-24-21-17-6-2-5-9-20(17)27(26-21)14-15-10-12-16(13-11-15)22(28)25-19-8-4-3-7-18(19)23;1-24-18-10-11-21-17(12-18)13-25-27(21)14-15-6-8-16(9-7-15)22(28)26-20-5-3-2-4-19(20)23;1-24-18-10-11-20-17(12-18)14-27(26-20)13-15-6-8-16(9-7-15)22(28)25-21-5-3-2-4-19(21)23;23-13-21-17-5-1-3-7-19(17)26-27(21)14-15-9-11-16(12-10-15)22(28)25-20-8-4-2-6-18(20)24;23-17-6-2-3-7-18(17)24-21(27)15-11-9-14(10-12-15)13-26-19-8-4-1-5-16(19)20(25-26)22(28)29;23-17-6-2-4-8-19(17)24-21(27)15-11-9-14(10-12-15)13-26-20(22(28)29)16-5-1-3-7-18(16)25-26/h1-16H,17,27H2,(H,29,32);2-13H,14,23H2,(H,25,28);2-13H,14,23H2,(H,26,28);2-12,14H,13,23H2,(H,25,28);1-12H,14,24H2,(H,25,28);2*1-12H,13,23H2,(H,24,27)(H,28,29)
InChIKeyBUWSSYLOIIKNTN-UHFFFAOYSA-N
MW2661.96 g/mol
LogP29.42
Rot. Bonds31

About 1-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]indazole-3-carboxylic acid;2-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]indazole-3-carboxylic acid;N-(2-aminophenyl)-4-[(3-cyanoindazol-2-yl)methyl]benzamide;N-(2-aminophenyl)-4-[(3-isocyanoindazol-1-yl)methyl]benzamide;N-(2-aminophenyl)-4-[(5-isocyanoindazol-1-yl)methyl]benzamide;N-(2-aminophenyl)-4-[(5-isocyanoindazol-2-yl)methyl]benzamide;N-(2-aminophenyl)-4-[(3-pyridin-2-ylindazol-1-yl)methyl]benzamide

1-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]indazole-3-carboxylic acid;2-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]indazole-3-carboxylic acid;N-(2-aminophenyl)-4-[(3-cyanoindazol-2-yl)methyl]benzamide;N-(2-aminophenyl)-4-[(3-isocyanoindazol-1-yl)methyl]benzamide;N-(2-aminophenyl)-4-[(5-isocyanoindazol-1-yl)methyl]benzamide;N-(2-aminophenyl)-4-[(5-isocyanoindazol-2-yl)methyl]benzamide;N-(2-aminophenyl)-4-[(3-pyridin-2-ylindazol-1-yl)methyl]benzamide (PubChem CID 157469727) has the molecular formula C158H125N33O11 and a molecular weight of 2661.96 g/mol. Its IUPAC name is 1-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]indazole-3-carboxylic acid;2-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]indazole-3-carboxylic acid;N-(2-aminophenyl)-4-[(3-cyanoindazol-2-yl)methyl]benzamide;N-(2-aminophenyl)-4-[(3-isocyanoindazol-1-yl)methyl]benzamide;N-(2-aminophenyl)-4-[(5-isocyanoindazol-1-yl)methyl]benzamide;N-(2-aminophenyl)-4-[(5-isocyanoindazol-2-yl)methyl]benzamide;N-(2-aminophenyl)-4-[(3-pyridin-2-ylindazol-1-yl)methyl]benzamide.

Molecular Properties

Compound Name1-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]indazole-3-carboxylic acid;2-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]indazole-3-carboxylic acid;N-(2-aminophenyl)-4-[(3-cyanoindazol-2-yl)methyl]benzamide;N-(2-aminophenyl)-4-[(3-isocyanoindazol-1-yl)methyl]benzamide;N-(2-aminophenyl)-4-[(5-isocyanoindazol-1-yl)methyl]benzamide;N-(2-aminophenyl)-4-[(5-isocyanoindazol-2-yl)methyl]benzamide;N-(2-aminophenyl)-4-[(3-pyridin-2-ylindazol-1-yl)methyl]benzamide
PubChem CID157469727
Molecular FormulaC158H125N33O11
Molecular Weight2661.96 g/mol
Exact Mass2660.02
IUPAC Name1-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]indazole-3-carboxylic acid;2-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]indazole-3-carboxylic acid;N-(2-aminophenyl)-4-[(3-cyanoindazol-2-yl)methyl]benzamide;N-(2-aminophenyl)-4-[(3-isocyanoindazol-1-yl)methyl]benzamide;N-(2-aminophenyl)-4-[(5-isocyanoindazol-1-yl)methyl]benzamide;N-(2-aminophenyl)-4-[(5-isocyanoindazol-2-yl)methyl]benzamide;N-(2-aminophenyl)-4-[(3-pyridin-2-ylindazol-1-yl)methyl]benzamide
SMILESN#Cc1c2ccccc2nn1Cc1ccc(C(=O)Nc2ccccc2N)cc1.Nc1ccccc1NC(=O)c1ccc(Cn2nc(-c3ccccn3)c3ccccc32)cc1.Nc1ccccc1NC(=O)c1ccc(Cn2nc(C(=O)O)c3ccccc32)cc1.Nc1ccccc1NC(=O)c1ccc(Cn2nc3ccccc3c2C(=O)O)cc1.[C-]#[N+]c1ccc2c(cnn2Cc2ccc(C(=O)Nc3ccccc3N)cc2)c1.[C-]#[N+]c1ccc2nn(Cc3ccc(C(=O)Nc4ccccc4N)cc3)cc2c1.[C-]#[N+]c1nn(Cc2ccc(C(=O)Nc3ccccc3N)cc2)c2ccccc12
InChIInChI=1S/C26H21N5O.4C22H17N5O.2C22H18N4O3/c27-21-8-2-3-9-22(21)29-26(32)19-14-12-18(13-15-19)17-31-24-11-4-1-7-20(24)25(30-31)23-10-5-6-16-28-23;1-24-21-17-6-2-5-9-20(17)27(26-21)14-15-10-12-16(13-11-15)22(28)25-19-8-4-3-7-18(19)23;1-24-18-10-11-21-17(12-18)13-25-27(21)14-15-6-8-16(9-7-15)22(28)26-20-5-3-2-4-19(20)23;1-24-18-10-11-20-17(12-18)14-27(26-20)13-15-6-8-16(9-7-15)22(28)25-21-5-3-2-4-19(21)23;23-13-21-17-5-1-3-7-19(17)26-27(21)14-15-9-11-16(12-10-15)22(28)25-20-8-4-2-6-18(20)24;23-17-6-2-3-7-18(17)24-21(27)15-11-9-14(10-12-15)13-26-19-8-4-1-5-16(19)20(25-26)22(28)29;23-17-6-2-4-8-19(17)24-21(27)15-11-9-14(10-12-15)13-26-20(22(28)29)16-5-1-3-7-18(16)25-26/h1-16H,17,27H2,(H,29,32);2-13H,14,23H2,(H,25,28);2-13H,14,23H2,(H,26,28);2-12,14H,13,23H2,(H,25,28);1-12H,14,24H2,(H,25,28);2*1-12H,13,23H2,(H,24,27)(H,28,29)
InChIKeyBUWSSYLOIIKNTN-UHFFFAOYSA-N
XLogP29.42
TPSA634.94 Ų
H-Bond Donors16
H-Bond Acceptors32
Rotatable Bonds31
Heavy Atoms202
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002661.96
LogP ≤ 529.42
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1032

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 1-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]indazole-3-carboxylic acid;2-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]indazole-3-carboxylic acid;N-(2-aminophenyl)-4-[(3-cyanoindazol-2-yl)methyl]benzamide;N-(2-aminophenyl)-4-[(3-isocyanoindazol-1-yl)methyl]benzamide;N-(2-aminophenyl)-4-[(5-isocyanoindazol-1-yl)methyl]benzamide;N-(2-aminophenyl)-4-[(5-isocyanoindazol-2-yl)methyl]benzamide;N-(2-aminophenyl)-4-[(3-pyridin-2-ylindazol-1-yl)methyl]benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]indazole-3-carboxylic acid;2-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]indazole-3-carboxylic acid;N-(2-aminophenyl)-4-[(3-cyanoindazol-2-yl)methyl]benzamide;N-(2-aminophenyl)-4-[(3-isocyanoindazol-1-yl)methyl]benzamide;N-(2-aminophenyl)-4-[(5-isocyanoindazol-1-yl)methyl]benzamide;N-(2-aminophenyl)-4-[(5-isocyanoindazol-2-yl)methyl]benzamide;N-(2-aminophenyl)-4-[(3-pyridin-2-ylindazol-1-yl)methyl]benzamide?
The IUPAC name of 1-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]indazole-3-carboxylic acid;2-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]indazole-3-carboxylic acid;N-(2-aminophenyl)-4-[(3-cyanoindazol-2-yl)methyl]benzamide;N-(2-aminophenyl)-4-[(3-isocyanoindazol-1-yl)methyl]benzamide;N-(2-aminophenyl)-4-[(5-isocyanoindazol-1-yl)methyl]benzamide;N-(2-aminophenyl)-4-[(5-isocyanoindazol-2-yl)methyl]benzamide;N-(2-aminophenyl)-4-[(3-pyridin-2-ylindazol-1-yl)methyl]benzamide (CID 157469727) is 1-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]indazole-3-carboxylic acid;2-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]indazole-3-carboxylic acid;N-(2-aminophenyl)-4-[(3-cyanoindazol-2-yl)methyl]benzamide;N-(2-aminophenyl)-4-[(3-isocyanoindazol-1-yl)methyl]benzamide;N-(2-aminophenyl)-4-[(5-isocyanoindazol-1-yl)methyl]benzamide;N-(2-aminophenyl)-4-[(5-isocyanoindazol-2-yl)methyl]benzamide;N-(2-aminophenyl)-4-[(3-pyridin-2-ylindazol-1-yl)methyl]benzamide.
What is the SMILES notation for 1-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]indazole-3-carboxylic acid;2-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]indazole-3-carboxylic acid;N-(2-aminophenyl)-4-[(3-cyanoindazol-2-yl)methyl]benzamide;N-(2-aminophenyl)-4-[(3-isocyanoindazol-1-yl)methyl]benzamide;N-(2-aminophenyl)-4-[(5-isocyanoindazol-1-yl)methyl]benzamide;N-(2-aminophenyl)-4-[(5-isocyanoindazol-2-yl)methyl]benzamide;N-(2-aminophenyl)-4-[(3-pyridin-2-ylindazol-1-yl)methyl]benzamide?
The canonical SMILES for 1-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]indazole-3-carboxylic acid;2-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]indazole-3-carboxylic acid;N-(2-aminophenyl)-4-[(3-cyanoindazol-2-yl)methyl]benzamide;N-(2-aminophenyl)-4-[(3-isocyanoindazol-1-yl)methyl]benzamide;N-(2-aminophenyl)-4-[(5-isocyanoindazol-1-yl)methyl]benzamide;N-(2-aminophenyl)-4-[(5-isocyanoindazol-2-yl)methyl]benzamide;N-(2-aminophenyl)-4-[(3-pyridin-2-ylindazol-1-yl)methyl]benzamide is N#Cc1c2ccccc2nn1Cc1ccc(C(=O)Nc2ccccc2N)cc1.Nc1ccccc1NC(=O)c1ccc(Cn2nc(-c3ccccn3)c3ccccc32)cc1.Nc1ccccc1NC(=O)c1ccc(Cn2nc(C(=O)O)c3ccccc32)cc1.Nc1ccccc1NC(=O)c1ccc(Cn2nc3ccccc3c2C(=O)O)cc1.[C-]#[N+]c1ccc2c(cnn2Cc2ccc(C(=O)Nc3ccccc3N)cc2)c1.[C-]#[N+]c1ccc2nn(Cc3ccc(C(=O)Nc4ccccc4N)cc3)cc2c1.[C-]#[N+]c1nn(Cc2ccc(C(=O)Nc3ccccc3N)cc2)c2ccccc12.
What is the InChIKey of 1-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]indazole-3-carboxylic acid;2-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]indazole-3-carboxylic acid;N-(2-aminophenyl)-4-[(3-cyanoindazol-2-yl)methyl]benzamide;N-(2-aminophenyl)-4-[(3-isocyanoindazol-1-yl)methyl]benzamide;N-(2-aminophenyl)-4-[(5-isocyanoindazol-1-yl)methyl]benzamide;N-(2-aminophenyl)-4-[(5-isocyanoindazol-2-yl)methyl]benzamide;N-(2-aminophenyl)-4-[(3-pyridin-2-ylindazol-1-yl)methyl]benzamide?
The InChIKey is BUWSSYLOIIKNTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N5O.4C22H17N5O.2C22H18N4O3/c27-21-8-2-3-9-22(21)29-26(32)19-14-12-18(13-15-19)17-31-24-11-4-1-7-20(24)25(30-31)23-10-5-6-16-28-23;1-24-21-17-6-2-5-9-20(17)27(26-21)14-15-10-12-16(13-11-15)22(28)25-19-8-4-3-7-18(19)23;1-24-18-10-11-21-17(12-18)13-25-27(21)14-15-6-8-16(9-7-15)22(28)26-20-5-3-2-4-19(20)23;1-24-18-10-11-20-17(12-18)14-27(26-20)13-15-6-8-16(9-7-15)22(28)25-21-5-3-2-4-19(21)23;23-13-21-17-5-1-3-7-19(17)26-27(21)14-15-9-11-16(12-10-15)22(28)25-20-8-4-2-6-18(20)24;23-17-6-2-3-7-18(17)24-21(27)15-11-9-14(10-12-15)13-26-19-8-4-1-5-16(19)20(25-26)22(28)29;23-17-6-2-4-8-19(17)24-21(27)15-11-9-14(10-12-15)13-26-20(22(28)29)16-5-1-3-7-18(16)25-26/h1-16H,17,27H2,(H,29,32);2-13H,14,23H2,(H,25,28);2-13H,14,23H2,(H,26,28);2-12,14H,13,23H2,(H,25,28);1-12H,14,24H2,(H,25,28);2*1-12H,13,23H2,(H,24,27)(H,28,29).
What are the key properties of 1-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]indazole-3-carboxylic acid;2-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]indazole-3-carboxylic acid;N-(2-aminophenyl)-4-[(3-cyanoindazol-2-yl)methyl]benzamide;N-(2-aminophenyl)-4-[(3-isocyanoindazol-1-yl)methyl]benzamide;N-(2-aminophenyl)-4-[(5-isocyanoindazol-1-yl)methyl]benzamide;N-(2-aminophenyl)-4-[(5-isocyanoindazol-2-yl)methyl]benzamide;N-(2-aminophenyl)-4-[(3-pyridin-2-ylindazol-1-yl)methyl]benzamide?
1-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]indazole-3-carboxylic acid;2-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]indazole-3-carboxylic acid;N-(2-aminophenyl)-4-[(3-cyanoindazol-2-yl)methyl]benzamide;N-(2-aminophenyl)-4-[(3-isocyanoindazol-1-yl)methyl]benzamide;N-(2-aminophenyl)-4-[(5-isocyanoindazol-1-yl)methyl]benzamide;N-(2-aminophenyl)-4-[(5-isocyanoindazol-2-yl)methyl]benzamide;N-(2-aminophenyl)-4-[(3-pyridin-2-ylindazol-1-yl)methyl]benzamide has a molecular weight of 2661.96 g/mol, XLogP of 29.42, 31 rotatable bonds, 16 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]indazole-3-carboxylic acid;2-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]indazole-3-carboxylic acid;N-(2-aminophenyl)-4-[(3-cyanoindazol-2-yl)methyl]benzamide;N-(2-aminophenyl)-4-[(3-isocyanoindazol-1-yl)methyl]benzamide;N-(2-aminophenyl)-4-[(5-isocyanoindazol-1-yl)methyl]benzamide;N-(2-aminophenyl)-4-[(5-isocyanoindazol-2-yl)methyl]benzamide;N-(2-aminophenyl)-4-[(3-pyridin-2-ylindazol-1-yl)methyl]benzamide is sourced from PubChem (CID 157469727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).