1-benzyl-3-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]urea;2,2-dimethylpropyl N-[3-(5-carbamoyl-1H-indazol-3-yl)phenyl]carbamate;3-[3-(3-morpholin-4-ylpropylcarbamoylamino)phenyl]-1H-indazole-5-carboxamide;1-phenyl-3-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]urea

C87H84N24O8 — CID 158832250

IUPAC1-benzyl-3-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]urea;2,2-dimethylpropyl N-[3-(5-carbamoyl-1H-indazol-3-yl)phenyl]carbamate;3-[3-(3-morpholin-4-ylpropylcarbamoylamino)phenyl]-1H-indazole-5-carboxamide;1-phenyl-3-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]urea
SMILESCC(C)(C)COC(=O)Nc1cccc(-c2n[nH]c3ccc(C(N)=O)cc23)c1.NC(=O)c1ccc2[nH]nc(-c3cccc(NC(=O)NCCCN4CCOCC4)c3)c2c1.O=C(NCc1ccccc1)Nc1cccc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)c1.O=C(Nc1ccccc1)Nc1cccc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)c1
InChIInChI=1S/C23H19N7O.C22H17N7O.C22H26N6O3.C20H22N4O3/c31-23(24-13-15-5-2-1-3-6-15)27-18-8-4-7-16(11-18)21-19-12-17(22-25-14-26-30-22)9-10-20(19)28-29-21;30-22(25-16-6-2-1-3-7-16)26-17-8-4-5-14(11-17)20-18-12-15(21-23-13-24-29-21)9-10-19(18)27-28-20;23-21(29)16-5-6-19-18(14-16)20(27-26-19)15-3-1-4-17(13-15)25-22(30)24-7-2-8-28-9-11-31-12-10-28;1-20(2,3)11-27-19(26)22-14-6-4-5-12(9-14)17-15-10-13(18(21)25)7-8-16(15)23-24-17/h1-12,14H,13H2,(H,28,29)(H2,24,27,31)(H,25,26,30);1-13H,(H,27,28)(H,23,24,29)(H2,25,26,30);1,3-6,13-14H,2,7-12H2,(H2,23,29)(H,26,27)(H2,24,25,30);4-10H,11H2,1-3H3,(H2,21,25)(H,22,26)(H,23,24)
InChIKeyIXENSSZQJJOFKA-UHFFFAOYSA-N
MW1593.79 g/mol
LogP15.09
Rot. Bonds20

About 1-benzyl-3-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]urea;2,2-dimethylpropyl N-[3-(5-carbamoyl-1H-indazol-3-yl)phenyl]carbamate;3-[3-(3-morpholin-4-ylpropylcarbamoylamino)phenyl]-1H-indazole-5-carboxamide;1-phenyl-3-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]urea

1-benzyl-3-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]urea;2,2-dimethylpropyl N-[3-(5-carbamoyl-1H-indazol-3-yl)phenyl]carbamate;3-[3-(3-morpholin-4-ylpropylcarbamoylamino)phenyl]-1H-indazole-5-carboxamide;1-phenyl-3-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]urea (PubChem CID 158832250) has the molecular formula C87H84N24O8 and a molecular weight of 1593.79 g/mol. Its IUPAC name is 1-benzyl-3-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]urea;2,2-dimethylpropyl N-[3-(5-carbamoyl-1H-indazol-3-yl)phenyl]carbamate;3-[3-(3-morpholin-4-ylpropylcarbamoylamino)phenyl]-1H-indazole-5-carboxamide;1-phenyl-3-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]urea.

Molecular Properties

Compound Name1-benzyl-3-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]urea;2,2-dimethylpropyl N-[3-(5-carbamoyl-1H-indazol-3-yl)phenyl]carbamate;3-[3-(3-morpholin-4-ylpropylcarbamoylamino)phenyl]-1H-indazole-5-carboxamide;1-phenyl-3-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]urea
PubChem CID158832250
Molecular FormulaC87H84N24O8
Molecular Weight1593.79 g/mol
Exact Mass1592.69
IUPAC Name1-benzyl-3-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]urea;2,2-dimethylpropyl N-[3-(5-carbamoyl-1H-indazol-3-yl)phenyl]carbamate;3-[3-(3-morpholin-4-ylpropylcarbamoylamino)phenyl]-1H-indazole-5-carboxamide;1-phenyl-3-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]urea
SMILESCC(C)(C)COC(=O)Nc1cccc(-c2n[nH]c3ccc(C(N)=O)cc23)c1.NC(=O)c1ccc2[nH]nc(-c3cccc(NC(=O)NCCCN4CCOCC4)c3)c2c1.O=C(NCc1ccccc1)Nc1cccc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)c1.O=C(Nc1ccccc1)Nc1cccc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)c1
InChIInChI=1S/C23H19N7O.C22H17N7O.C22H26N6O3.C20H22N4O3/c31-23(24-13-15-5-2-1-3-6-15)27-18-8-4-7-16(11-18)21-19-12-17(22-25-14-26-30-22)9-10-20(19)28-29-21;30-22(25-16-6-2-1-3-7-16)26-17-8-4-5-14(11-17)20-18-12-15(21-23-13-24-29-21)9-10-19(18)27-28-20;23-21(29)16-5-6-19-18(14-16)20(27-26-19)15-3-1-4-17(13-15)25-22(30)24-7-2-8-28-9-11-31-12-10-28;1-20(2,3)11-27-19(26)22-14-6-4-5-12(9-14)17-15-10-13(18(21)25)7-8-16(15)23-24-17/h1-12,14H,13H2,(H,28,29)(H2,24,27,31)(H,25,26,30);1-13H,(H,27,28)(H,23,24,29)(H2,25,26,30);1,3-6,13-14H,2,7-12H2,(H2,23,29)(H,26,27)(H2,24,25,30);4-10H,11H2,1-3H3,(H2,21,25)(H,22,26)(H,23,24)
InChIKeyIXENSSZQJJOFKA-UHFFFAOYSA-N
XLogP15.09
TPSA458.23 Ų
H-Bond Donors15
H-Bond Acceptors17
Rotatable Bonds20
Heavy Atoms119
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001593.79
LogP ≤ 515.09
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

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

Analyze 1-benzyl-3-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]urea;2,2-dimethylpropyl N-[3-(5-carbamoyl-1H-indazol-3-yl)phenyl]carbamate;3-[3-(3-morpholin-4-ylpropylcarbamoylamino)phenyl]-1H-indazole-5-carboxamide;1-phenyl-3-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]urea with MolForge

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Related Compounds

3-(5-(1H-1,2,4-Triazol-3-YL)(1H-indazol-3-YL))phenyl-N-(2-morpholin-4-ylethyl)carboxamide
CID 20789103
N,N-dimethyl-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide;3-[3-(methylaminomethyl)phenyl]-1H-indazole-5-carboxamide;N-methyl-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide;3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide;2,2,2-trifluoroacetic acid
CID 161768855
5-[5-(2-cyclopropylethyl)-1H-1,2,4-triazol-3-yl]-3-(4-fluorophenyl)-1H-indazole;3-(4-fluorophenyl)-5-[5-(2-methylprop-2-enyl)-1H-1,2,4-triazol-3-yl]-1H-indazole;3-(4-fluorophenyl)-5-[5-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-3-yl]-1H-indazole;3-[3-(phenylcarbamoylamino)phenyl]-1H-indazole-5-carboxamide
CID 162165623
methyl N-[(1R,3R)-3-[11-[4-[2-[2-[[(2S)-1-[[(1S)-1-cyclohexyl-2-[(2S)-2-[[(2S)-1-(ethylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]ethoxy]ethylcarbamoyl]-3-fluorophenyl]-5-methyl-4-oxo-12-(1-propan-2-ylindazol-5-yl)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraen-3-yl]cyclopentyl]carbamate
CID 176291409
methyl N-[(1R,3R)-3-[11-[4-[2-[2-[[(2S)-1-[[(1S)-1-cyclohexyl-2-[(2S)-2-[[(2S)-1-(ethylamino)-3-(4-fluorophenyl)-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]ethoxy]ethylcarbamoyl]-3-fluorophenyl]-5-methyl-4-oxo-12-(1-propan-2-ylindazol-5-yl)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraen-3-yl]cyclopentyl]carbamate
CID 176291643
N-[3-(5-(1H-1,2,4-Triazol-3-yl)-1H-indazol-3-yl)phenyl]butanamide N-(3-{1-Perhydro-2H-pyran-2-yl-5-[1-(triphenylmethyl)(1,2,4-triazol-3-yl)]-1H-indazol-3-yl}phenyl)butanamide
CID 21092611
2-[3-[3-[1-(oxan-2-yl)-5-(1-trityl-1,2,4-triazol-3-yl)indazol-3-yl]phenyl]-1-[N-(3-phenylprop-2-enoyl)-3-[5-(4H-1,2,4-triazol-3-yl)-1H-indazol-3-yl]anilino]prop-1-enyl]benzamide
CID 90962302
3-[3-[(cyclopropylamino)methyl]-2-fluorophenyl]-1H-indazole-5-carboxamide;N-methyl-1-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]methanamine;N-[[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]methyl]aniline;N-[[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]methyl]cyclopropanamine
CID 157152862
N-[1-(4-carbamoylcyclohexyl)-6-(morpholin-4-ylmethyl)-3H-indol-2-ylidene]-4-methylbenzamide;4-methyl-N-[6-(morpholin-4-ylmethyl)-1-[4-(piperazine-1-carbonyl)cyclohexyl]-3H-indol-2-ylidene]benzamide;4-methyl-N-[1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-6-(pyrazol-1-ylmethyl)-3H-indol-2-ylidene]benzamide;4-methyl-N-[1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-6-(1,2,4-triazol-1-ylmethyl)-3H-indol-2-ylidene]benzamide;4-methyl-N-[1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-6-(1,2,4-triazol-4-ylmethyl)-3H-indol-2-ylidene]benzamide
CID 157307971
N-tert-butyl-3-[5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazol-3-yl]benzamide;N-(2,3-dihydro-1H-inden-2-yl)-2-fluoro-5-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide;5-[5-(2,2-dimethylpropyl)-1H-1,2,4-triazol-3-yl]-3-(4-fluorophenyl)-1H-indazole;2-fluoro-N-[(4-fluorophenyl)methyl]-5-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide;2-fluoro-N-(4-fluorophenyl)-5-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide
CID 157801745
5-ethoxy-1-[3-(4-fluorophenyl)-1H-indazol-5-yl]-5-hydroxyimidazolidin-2-one;3-[3-(4-fluorophenyl)-1H-indazol-5-yl]-5-methylimidazolidine-2,4-dione;4-fluoro-N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]benzamide;1-phenyl-N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]methanesulfonamide
CID 157904150
N-[3-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]-3-methylbenzamide;N-[4-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]-3-methylbenzamide;2-[3-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]-N-(3-methylphenyl)acetamide;tert-butyl (3R)-3-[4-amino-3-[4-[(3-methylphenyl)carbamoylamino]phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]pyrrolidine-1-carboxylate;methane
CID 158229041

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]urea;2,2-dimethylpropyl N-[3-(5-carbamoyl-1H-indazol-3-yl)phenyl]carbamate;3-[3-(3-morpholin-4-ylpropylcarbamoylamino)phenyl]-1H-indazole-5-carboxamide;1-phenyl-3-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]urea?
The IUPAC name of 1-benzyl-3-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]urea;2,2-dimethylpropyl N-[3-(5-carbamoyl-1H-indazol-3-yl)phenyl]carbamate;3-[3-(3-morpholin-4-ylpropylcarbamoylamino)phenyl]-1H-indazole-5-carboxamide;1-phenyl-3-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]urea (CID 158832250) is 1-benzyl-3-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]urea;2,2-dimethylpropyl N-[3-(5-carbamoyl-1H-indazol-3-yl)phenyl]carbamate;3-[3-(3-morpholin-4-ylpropylcarbamoylamino)phenyl]-1H-indazole-5-carboxamide;1-phenyl-3-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]urea.
What is the SMILES notation for 1-benzyl-3-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]urea;2,2-dimethylpropyl N-[3-(5-carbamoyl-1H-indazol-3-yl)phenyl]carbamate;3-[3-(3-morpholin-4-ylpropylcarbamoylamino)phenyl]-1H-indazole-5-carboxamide;1-phenyl-3-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]urea?
The canonical SMILES for 1-benzyl-3-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]urea;2,2-dimethylpropyl N-[3-(5-carbamoyl-1H-indazol-3-yl)phenyl]carbamate;3-[3-(3-morpholin-4-ylpropylcarbamoylamino)phenyl]-1H-indazole-5-carboxamide;1-phenyl-3-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]urea is CC(C)(C)COC(=O)Nc1cccc(-c2n[nH]c3ccc(C(N)=O)cc23)c1.NC(=O)c1ccc2[nH]nc(-c3cccc(NC(=O)NCCCN4CCOCC4)c3)c2c1.O=C(NCc1ccccc1)Nc1cccc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)c1.O=C(Nc1ccccc1)Nc1cccc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)c1.
What is the InChIKey of 1-benzyl-3-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]urea;2,2-dimethylpropyl N-[3-(5-carbamoyl-1H-indazol-3-yl)phenyl]carbamate;3-[3-(3-morpholin-4-ylpropylcarbamoylamino)phenyl]-1H-indazole-5-carboxamide;1-phenyl-3-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]urea?
The InChIKey is IXENSSZQJJOFKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N7O.C22H17N7O.C22H26N6O3.C20H22N4O3/c31-23(24-13-15-5-2-1-3-6-15)27-18-8-4-7-16(11-18)21-19-12-17(22-25-14-26-30-22)9-10-20(19)28-29-21;30-22(25-16-6-2-1-3-7-16)26-17-8-4-5-14(11-17)20-18-12-15(21-23-13-24-29-21)9-10-19(18)27-28-20;23-21(29)16-5-6-19-18(14-16)20(27-26-19)15-3-1-4-17(13-15)25-22(30)24-7-2-8-28-9-11-31-12-10-28;1-20(2,3)11-27-19(26)22-14-6-4-5-12(9-14)17-15-10-13(18(21)25)7-8-16(15)23-24-17/h1-12,14H,13H2,(H,28,29)(H2,24,27,31)(H,25,26,30);1-13H,(H,27,28)(H,23,24,29)(H2,25,26,30);1,3-6,13-14H,2,7-12H2,(H2,23,29)(H,26,27)(H2,24,25,30);4-10H,11H2,1-3H3,(H2,21,25)(H,22,26)(H,23,24).
What are the key properties of 1-benzyl-3-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]urea;2,2-dimethylpropyl N-[3-(5-carbamoyl-1H-indazol-3-yl)phenyl]carbamate;3-[3-(3-morpholin-4-ylpropylcarbamoylamino)phenyl]-1H-indazole-5-carboxamide;1-phenyl-3-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]urea?
1-benzyl-3-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]urea;2,2-dimethylpropyl N-[3-(5-carbamoyl-1H-indazol-3-yl)phenyl]carbamate;3-[3-(3-morpholin-4-ylpropylcarbamoylamino)phenyl]-1H-indazole-5-carboxamide;1-phenyl-3-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]urea has a molecular weight of 1593.79 g/mol, XLogP of 15.09, 20 rotatable bonds, 15 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]urea;2,2-dimethylpropyl N-[3-(5-carbamoyl-1H-indazol-3-yl)phenyl]carbamate;3-[3-(3-morpholin-4-ylpropylcarbamoylamino)phenyl]-1H-indazole-5-carboxamide;1-phenyl-3-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]urea is sourced from PubChem (CID 158832250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).