N-(5-aminopentyl)-4-[2-(2H-indazol-3-yl)ethynyl]benzamide;tert-butyl N-[5-[[4-[2-(2H-indazol-3-yl)ethynyl]benzoyl]amino]pentyl]carbamate;4-[2-(2H-indazol-3-yl)ethynyl]benzoic acid;3-[2-(3-methylimidazol-4-yl)ethynyl]-N-(pyridin-2-ylmethyl)-2H-indazole-6-carboxamide

C83H78N16O7 — CID 157256202

IUPACN-(5-aminopentyl)-4-[2-(2H-indazol-3-yl)ethynyl]benzamide;tert-butyl N-[5-[[4-[2-(2H-indazol-3-yl)ethynyl]benzoyl]amino]pentyl]carbamate;4-[2-(2H-indazol-3-yl)ethynyl]benzoic acid;3-[2-(3-methylimidazol-4-yl)ethynyl]-N-(pyridin-2-ylmethyl)-2H-indazole-6-carboxamide
SMILESCC(C)(C)OC(=O)NCCCCCNC(=O)c1ccc(C#Cc2[nH]nc3ccccc23)cc1.Cn1cncc1C#Cc1[nH]nc2cc(C(=O)NCc3ccccn3)ccc12.NCCCCCNC(=O)c1ccc(C#Cc2[nH]nc3ccccc23)cc1.O=C(O)c1ccc(C#Cc2[nH]nc3ccccc23)cc1
InChIInChI=1S/C26H30N4O3.C21H22N4O.C20H16N6O.C16H10N2O2/c1-26(2,3)33-25(32)28-18-8-4-7-17-27-24(31)20-14-11-19(12-15-20)13-16-23-21-9-5-6-10-22(21)29-30-23;22-14-4-1-5-15-23-21(26)17-11-8-16(9-12-17)10-13-20-18-6-2-3-7-19(18)24-25-20;1-26-13-21-12-16(26)6-8-18-17-7-5-14(10-19(17)25-24-18)20(27)23-11-15-4-2-3-9-22-15;19-16(20)12-8-5-11(6-9-12)7-10-15-13-3-1-2-4-14(13)17-18-15/h5-6,9-12,14-15H,4,7-8,17-18H2,1-3H3,(H,27,31)(H,28,32)(H,29,30);2-3,6-9,11-12H,1,4-5,14-15,22H2,(H,23,26)(H,24,25);2-5,7,9-10,12-13H,11H2,1H3,(H,23,27)(H,24,25);1-6,8-9H,(H,17,18)(H,19,20)
InChIKeyAWXPFWHCLAGHDM-UHFFFAOYSA-N
MW1411.64 g/mol
LogP11.89
Rot. Bonds17

About N-(5-aminopentyl)-4-[2-(2H-indazol-3-yl)ethynyl]benzamide;tert-butyl N-[5-[[4-[2-(2H-indazol-3-yl)ethynyl]benzoyl]amino]pentyl]carbamate;4-[2-(2H-indazol-3-yl)ethynyl]benzoic acid;3-[2-(3-methylimidazol-4-yl)ethynyl]-N-(pyridin-2-ylmethyl)-2H-indazole-6-carboxamide

N-(5-aminopentyl)-4-[2-(2H-indazol-3-yl)ethynyl]benzamide;tert-butyl N-[5-[[4-[2-(2H-indazol-3-yl)ethynyl]benzoyl]amino]pentyl]carbamate;4-[2-(2H-indazol-3-yl)ethynyl]benzoic acid;3-[2-(3-methylimidazol-4-yl)ethynyl]-N-(pyridin-2-ylmethyl)-2H-indazole-6-carboxamide (PubChem CID 157256202) has the molecular formula C83H78N16O7 and a molecular weight of 1411.64 g/mol. Its IUPAC name is N-(5-aminopentyl)-4-[2-(2H-indazol-3-yl)ethynyl]benzamide;tert-butyl N-[5-[[4-[2-(2H-indazol-3-yl)ethynyl]benzoyl]amino]pentyl]carbamate;4-[2-(2H-indazol-3-yl)ethynyl]benzoic acid;3-[2-(3-methylimidazol-4-yl)ethynyl]-N-(pyridin-2-ylmethyl)-2H-indazole-6-carboxamide.

Molecular Properties

Compound NameN-(5-aminopentyl)-4-[2-(2H-indazol-3-yl)ethynyl]benzamide;tert-butyl N-[5-[[4-[2-(2H-indazol-3-yl)ethynyl]benzoyl]amino]pentyl]carbamate;4-[2-(2H-indazol-3-yl)ethynyl]benzoic acid;3-[2-(3-methylimidazol-4-yl)ethynyl]-N-(pyridin-2-ylmethyl)-2H-indazole-6-carboxamide
PubChem CID157256202
Molecular FormulaC83H78N16O7
Molecular Weight1411.64 g/mol
Exact Mass1410.62
IUPAC NameN-(5-aminopentyl)-4-[2-(2H-indazol-3-yl)ethynyl]benzamide;tert-butyl N-[5-[[4-[2-(2H-indazol-3-yl)ethynyl]benzoyl]amino]pentyl]carbamate;4-[2-(2H-indazol-3-yl)ethynyl]benzoic acid;3-[2-(3-methylimidazol-4-yl)ethynyl]-N-(pyridin-2-ylmethyl)-2H-indazole-6-carboxamide
SMILESCC(C)(C)OC(=O)NCCCCCNC(=O)c1ccc(C#Cc2[nH]nc3ccccc23)cc1.Cn1cncc1C#Cc1[nH]nc2cc(C(=O)NCc3ccccn3)ccc12.NCCCCCNC(=O)c1ccc(C#Cc2[nH]nc3ccccc23)cc1.O=C(O)c1ccc(C#Cc2[nH]nc3ccccc23)cc1
InChIInChI=1S/C26H30N4O3.C21H22N4O.C20H16N6O.C16H10N2O2/c1-26(2,3)33-25(32)28-18-8-4-7-17-27-24(31)20-14-11-19(12-15-20)13-16-23-21-9-5-6-10-22(21)29-30-23;22-14-4-1-5-15-23-21(26)17-11-8-16(9-12-17)10-13-20-18-6-2-3-7-19(18)24-25-20;1-26-13-21-12-16(26)6-8-18-17-7-5-14(10-19(17)25-24-18)20(27)23-11-15-4-2-3-9-22-15;19-16(20)12-8-5-11(6-9-12)7-10-15-13-3-1-2-4-14(13)17-18-15/h5-6,9-12,14-15H,4,7-8,17-18H2,1-3H3,(H,27,31)(H,28,32)(H,29,30);2-3,6-9,11-12H,1,4-5,14-15,22H2,(H,23,26)(H,24,25);2-5,7,9-10,12-13H,11H2,1H3,(H,23,27)(H,24,25);1-6,8-9H,(H,17,18)(H,19,20)
InChIKeyAWXPFWHCLAGHDM-UHFFFAOYSA-N
XLogP11.89
TPSA334.38 Ų
H-Bond Donors10
H-Bond Acceptors14
Rotatable Bonds17
Heavy Atoms106
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001411.64
LogP ≤ 511.89
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze N-(5-aminopentyl)-4-[2-(2H-indazol-3-yl)ethynyl]benzamide;tert-butyl N-[5-[[4-[2-(2H-indazol-3-yl)ethynyl]benzoyl]amino]pentyl]carbamate;4-[2-(2H-indazol-3-yl)ethynyl]benzoic acid;3-[2-(3-methylimidazol-4-yl)ethynyl]-N-(pyridin-2-ylmethyl)-2H-indazole-6-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

methyl (2R)-4-[6-[2-(3-aminophenyl)ethyl]-1H-indazol-3-yl]-2-methyl-4-oxobutanoate;3-(5-methylimidazol-1-yl)-5-(trifluoromethyl)benzoic acid;methyl (2R)-2-methyl-4-[6-[2-[3-[[3-(5-methylimidazol-1-yl)-5-(trifluoromethyl)benzoyl]amino]phenyl]ethyl]-1H-indazol-3-yl]-4-oxobutanoate
CID 160666673
N-[3-[2-[3-[(3R)-4-amino-3-methyl-4-oxobutanoyl]-1H-indazol-6-yl]ethyl]phenyl]-3-(5-methylimidazol-1-yl)-5-(trifluoromethyl)benzamide;methane;(2R)-2-methyl-4-[6-[2-[3-[[3-(5-methylimidazol-1-yl)-5-(trifluoromethyl)benzoyl]amino]phenyl]ethyl]-1H-indazol-3-yl]-4-oxobutanoic acid
CID 160682821
4-[[(2S)-3-(1-benzylimidazol-4-yl)-2-[(3-cyclohexyl-2-phenylindazole-6-carbonyl)amino]propanoyl]amino]benzoic acid
CID 54761953
(E)-3-[4-[[2-[(3-cyclohexyl-2-phenylindazole-6-carbonyl)amino]-3-[3-(phenylmethoxymethyl)imidazol-4-yl]propanoyl]amino]phenyl]prop-2-enoic acid
CID 117898814
(E)-3-[4-[[(2S)-2-[(3-cyclohexyl-2-phenylindazole-6-carbonyl)amino]-3-[3-(phenylmethoxymethyl)imidazol-4-yl]propanoyl]amino]phenyl]prop-2-enoic acid
CID 117898815
3-[4-[[(2S)-2-[(3-cyclohexyl-2-phenylindazole-6-carbonyl)amino]-3-[3-(phenylmethoxymethyl)imidazol-4-yl]propanoyl]amino]phenyl]prop-2-enoic acid
CID 123999960
tert-butyl N-[[4-[2-[2-pyrazol-1-yl-5-[3-(1H-pyrrol-3-yl)propylcarbamoyl]phenyl]ethynyl]phenyl]methyl]carbamate;3-[2-(4-fluorophenyl)ethynyl]-4-phenyl-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;N-(3-imidazol-1-ylpropyl)-3-(2-phenylethynyl)-4-pyrazol-1-ylbenzamide;3-[2-[3-(methylcarbamoyl)phenyl]ethynyl]-N-[3-(1H-pyrazol-4-yl)propyl]-4-pyrrol-1-ylbenzamide;3-[2-(5-methyl-2-pyridinyl)ethynyl]-4-pyrazol-1-yl-N-[3-(1H-pyrazol-4-yl)propyl]benzamide
CID 157361625
tert-butyl 3-[[2-(1,6-dimethylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carbonyl]amino]-3-methylpyrrolidine-1-carboxylate;2-(1,6-dimethylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid
CID 157496611
6-methyl-1H-benzimidazole;5-methyl-1H-indazole;2-methyl-1H-indole;5-methyl-1H-indole;6-methyl-1H-indole;2-methyl-1H-indole-5-carboxylic acid;2-methyl-1H-indole-6-carboxylic acid;methyl 2-methyl-1H-indole-5-carboxylate
CID 157560965
1-ethyl-N-[5-[3-[(E)-2-(1H-imidazol-2-yl)ethenyl]-1H-indazole-6-carbonyl]-2-methylphenyl]imidazole-2-carboxamide;2-ethyl-N-[5-[3-[(E)-2-(1H-imidazol-2-yl)ethenyl]-1H-indazole-6-carbonyl]-2-methylphenyl]-5-methylpyrazole-3-carboxamide;1-ethyl-N-[2-methyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]imidazole-2-carboxamide;N-[5-[3-[(E)-2-(1H-imidazol-2-yl)ethenyl]-1H-indazole-6-carbonyl]-2-methylphenyl]-1-methylimidazole-2-carboxamide;1-methyl-N-[2-methyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]imidazole-2-carboxamide
CID 157779887
tert-butyl N-[2-methyl-2-[[2-(6-methyl-1H-indazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carbonyl]amino]propyl]carbamate;2-(6-methyl-1H-indazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid
CID 158284031
2,5-dimethyl-N-[3-[3-[(E)-2-(1-methylimidazol-4-yl)ethenyl]-1H-indazole-6-carbonyl]phenyl]pyrazole-3-carboxamide;2-ethyl-N-[3-[3-[(E)-2-(1H-imidazol-5-yl)ethenyl]-1H-indazole-6-carbonyl]phenyl]-5-methylpyrazole-3-carboxamide;2-ethyl-5-methyl-N-[3-[3-[(E)-2-(1-methylimidazol-4-yl)ethenyl]-1H-indazole-6-carbonyl]phenyl]pyrazole-3-carboxamide;N-[3-[3-[(E)-2-(1H-imidazol-2-yl)ethenyl]-1H-indazole-6-carbonyl]phenyl]-2,5-dimethylpyrazole-3-carboxamide;N-[3-[3-[(E)-2-(1H-imidazol-5-yl)ethenyl]-1H-indazole-6-carbonyl]phenyl]-2,5-dimethylpyrazole-3-carboxamide
CID 159289991

Frequently Asked Questions

What is the IUPAC name of N-(5-aminopentyl)-4-[2-(2H-indazol-3-yl)ethynyl]benzamide;tert-butyl N-[5-[[4-[2-(2H-indazol-3-yl)ethynyl]benzoyl]amino]pentyl]carbamate;4-[2-(2H-indazol-3-yl)ethynyl]benzoic acid;3-[2-(3-methylimidazol-4-yl)ethynyl]-N-(pyridin-2-ylmethyl)-2H-indazole-6-carboxamide?
The IUPAC name of N-(5-aminopentyl)-4-[2-(2H-indazol-3-yl)ethynyl]benzamide;tert-butyl N-[5-[[4-[2-(2H-indazol-3-yl)ethynyl]benzoyl]amino]pentyl]carbamate;4-[2-(2H-indazol-3-yl)ethynyl]benzoic acid;3-[2-(3-methylimidazol-4-yl)ethynyl]-N-(pyridin-2-ylmethyl)-2H-indazole-6-carboxamide (CID 157256202) is N-(5-aminopentyl)-4-[2-(2H-indazol-3-yl)ethynyl]benzamide;tert-butyl N-[5-[[4-[2-(2H-indazol-3-yl)ethynyl]benzoyl]amino]pentyl]carbamate;4-[2-(2H-indazol-3-yl)ethynyl]benzoic acid;3-[2-(3-methylimidazol-4-yl)ethynyl]-N-(pyridin-2-ylmethyl)-2H-indazole-6-carboxamide.
What is the SMILES notation for N-(5-aminopentyl)-4-[2-(2H-indazol-3-yl)ethynyl]benzamide;tert-butyl N-[5-[[4-[2-(2H-indazol-3-yl)ethynyl]benzoyl]amino]pentyl]carbamate;4-[2-(2H-indazol-3-yl)ethynyl]benzoic acid;3-[2-(3-methylimidazol-4-yl)ethynyl]-N-(pyridin-2-ylmethyl)-2H-indazole-6-carboxamide?
The canonical SMILES for N-(5-aminopentyl)-4-[2-(2H-indazol-3-yl)ethynyl]benzamide;tert-butyl N-[5-[[4-[2-(2H-indazol-3-yl)ethynyl]benzoyl]amino]pentyl]carbamate;4-[2-(2H-indazol-3-yl)ethynyl]benzoic acid;3-[2-(3-methylimidazol-4-yl)ethynyl]-N-(pyridin-2-ylmethyl)-2H-indazole-6-carboxamide is CC(C)(C)OC(=O)NCCCCCNC(=O)c1ccc(C#Cc2[nH]nc3ccccc23)cc1.Cn1cncc1C#Cc1[nH]nc2cc(C(=O)NCc3ccccn3)ccc12.NCCCCCNC(=O)c1ccc(C#Cc2[nH]nc3ccccc23)cc1.O=C(O)c1ccc(C#Cc2[nH]nc3ccccc23)cc1.
What is the InChIKey of N-(5-aminopentyl)-4-[2-(2H-indazol-3-yl)ethynyl]benzamide;tert-butyl N-[5-[[4-[2-(2H-indazol-3-yl)ethynyl]benzoyl]amino]pentyl]carbamate;4-[2-(2H-indazol-3-yl)ethynyl]benzoic acid;3-[2-(3-methylimidazol-4-yl)ethynyl]-N-(pyridin-2-ylmethyl)-2H-indazole-6-carboxamide?
The InChIKey is AWXPFWHCLAGHDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O3.C21H22N4O.C20H16N6O.C16H10N2O2/c1-26(2,3)33-25(32)28-18-8-4-7-17-27-24(31)20-14-11-19(12-15-20)13-16-23-21-9-5-6-10-22(21)29-30-23;22-14-4-1-5-15-23-21(26)17-11-8-16(9-12-17)10-13-20-18-6-2-3-7-19(18)24-25-20;1-26-13-21-12-16(26)6-8-18-17-7-5-14(10-19(17)25-24-18)20(27)23-11-15-4-2-3-9-22-15;19-16(20)12-8-5-11(6-9-12)7-10-15-13-3-1-2-4-14(13)17-18-15/h5-6,9-12,14-15H,4,7-8,17-18H2,1-3H3,(H,27,31)(H,28,32)(H,29,30);2-3,6-9,11-12H,1,4-5,14-15,22H2,(H,23,26)(H,24,25);2-5,7,9-10,12-13H,11H2,1H3,(H,23,27)(H,24,25);1-6,8-9H,(H,17,18)(H,19,20).
What are the key properties of N-(5-aminopentyl)-4-[2-(2H-indazol-3-yl)ethynyl]benzamide;tert-butyl N-[5-[[4-[2-(2H-indazol-3-yl)ethynyl]benzoyl]amino]pentyl]carbamate;4-[2-(2H-indazol-3-yl)ethynyl]benzoic acid;3-[2-(3-methylimidazol-4-yl)ethynyl]-N-(pyridin-2-ylmethyl)-2H-indazole-6-carboxamide?
N-(5-aminopentyl)-4-[2-(2H-indazol-3-yl)ethynyl]benzamide;tert-butyl N-[5-[[4-[2-(2H-indazol-3-yl)ethynyl]benzoyl]amino]pentyl]carbamate;4-[2-(2H-indazol-3-yl)ethynyl]benzoic acid;3-[2-(3-methylimidazol-4-yl)ethynyl]-N-(pyridin-2-ylmethyl)-2H-indazole-6-carboxamide has a molecular weight of 1411.64 g/mol, XLogP of 11.89, 17 rotatable bonds, 10 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-aminopentyl)-4-[2-(2H-indazol-3-yl)ethynyl]benzamide;tert-butyl N-[5-[[4-[2-(2H-indazol-3-yl)ethynyl]benzoyl]amino]pentyl]carbamate;4-[2-(2H-indazol-3-yl)ethynyl]benzoic acid;3-[2-(3-methylimidazol-4-yl)ethynyl]-N-(pyridin-2-ylmethyl)-2H-indazole-6-carboxamide is sourced from PubChem (CID 157256202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).