N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide;2,2-dimethylpropyl N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]carbamate;ethyl N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]carbamate;1-ethyl-3-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]urea

C81H73N25O8 — CID 159801265

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide;2,2-dimethylpropyl N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]carbamate;ethyl N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]carbamate;1-ethyl-3-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]urea

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide;2,2-dimethylpropyl N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]carbamate;ethyl N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]carbamate;1-ethyl-3-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]urea (PubChem CID 159801265) has the molecular formula C81H73N25O8 and a molecular weight of 1524.64 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide;2,2-dimethylpropyl N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]carbamate;ethyl N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]carbamate;1-ethyl-3-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]urea.

Molecular Properties

• Compound Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide;2,2-dimethylpropyl N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]carbamate;ethyl N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]carbamate;1-ethyl-3-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]urea
• PubChem CID: 159801265
• Molecular Formula: C81H73N25O8
• Molecular Weight: 1524.64 g/mol
• Exact Mass: 1523.61
• IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide;2,2-dimethylpropyl N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]carbamate;ethyl N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]carbamate;1-ethyl-3-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]urea
• SMILES: CC(C)(C)COC(=O)Nc1cccc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)c1.CCNC(=O)Nc1cccc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)c1.CCOC(=O)Nc1cccc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)c1.O=C(Nc1ccc2c(c1)OCCO2)c1cccc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)c1
• InChI: InChI=1S/C24H18N6O3.C21H22N6O2.C18H17N7O.C18H16N6O2/c31-24(27-17-5-7-20-21(12-17)33-9-8-32-20)16-3-1-2-14(10-16)22-18-11-15(23-25-13-26-30-23)4-6-19(18)28-29-22;1-21(2,3)11-29-20(28)24-15-6-4-5-13(9-15)18-16-10-14(19-22-12-23-27-19)7-8-17(16)25-26-18;1-2-19-18(26)22-13-5-3-4-11(8-13)16-14-9-12(17-20-10-21-25-17)6-7-15(14)23-24-16;1-2-26-18(25)21-13-5-3-4-11(8-13)16-14-9-12(17-19-10-20-24-17)6-7-15(14)22-23-16/h1-7,10-13H,8-9H2,(H,27,31)(H,28,29)(H,25,26,30);4-10,12H,11H2,1-3H3,(H,24,28)(H,25,26)(H,22,23,27);3-10H,2H2,1H3,(H,23,24)(H2,19,22,26)(H,20,21,25);3-10H,2H2,1H3,(H,21,25)(H,22,23)(H,19,20,24)
• InChIKey: NJUYBKGRYOAIGG-UHFFFAOYSA-N
• XLogP: 15.39
• TPSA: 446.35 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 20
• Rotatable Bonds: 16
• Heavy Atoms: 114
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1524.64
LogP ≤ 5	15.39
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide;2,2-dimethylpropyl N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]carbamate;ethyl N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]carbamate;1-ethyl-3-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]urea?

The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide;2,2-dimethylpropyl N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]carbamate;ethyl N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]carbamate;1-ethyl-3-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]urea (CID 159801265) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide;2,2-dimethylpropyl N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]carbamate;ethyl N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]carbamate;1-ethyl-3-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]urea.

What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide;2,2-dimethylpropyl N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]carbamate;ethyl N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]carbamate;1-ethyl-3-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]urea?

The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide;2,2-dimethylpropyl N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]carbamate;ethyl N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]carbamate;1-ethyl-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(-c4ncn[nH]4)cc23)c1.CCNC(=O)Nc1cccc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)c1.CCOC(=O)Nc1cccc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)c1.O=C(Nc1ccc2c(c1)OCCO2)c1cccc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)c1.

What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide;2,2-dimethylpropyl N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]carbamate;ethyl N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]carbamate;1-ethyl-3-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]urea?

The InChIKey is NJUYBKGRYOAIGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N6O3.C21H22N6O2.C18H17N7O.C18H16N6O2/c31-24(27-17-5-7-20-21(12-17)33-9-8-32-20)16-3-1-2-14(10-16)22-18-11-15(23-25-13-26-30-23)4-6-19(18)28-29-22;1-21(2,3)11-29-20(28)24-15-6-4-5-13(9-15)18-16-10-14(19-22-12-23-27-19)7-8-17(16)25-26-18;1-2-19-18(26)22-13-5-3-4-11(8-13)16-14-9-12(17-20-10-21-25-17)6-7-15(14)23-24-16;1-2-26-18(25)21-13-5-3-4-11(8-13)16-14-9-12(17-19-10-20-24-17)6-7-15(14)22-23-16/h1-7,10-13H,8-9H2,(H,27,31)(H,28,29)(H,25,26,30);4-10,12H,11H2,1-3H3,(H,24,28)(H,25,26)(H,22,23,27);3-10H,2H2,1H3,(H,23,24)(H2,19,22,26)(H,20,21,25);3-10H,2H2,1H3,(H,21,25)(H,22,23)(H,19,20,24).

What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide;2,2-dimethylpropyl N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]carbamate;ethyl N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]carbamate;1-ethyl-3-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]urea?

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide;2,2-dimethylpropyl N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]carbamate;ethyl N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]carbamate;1-ethyl-3-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]urea has a molecular weight of 1524.64 g/mol, XLogP of 15.39, 16 rotatable bonds, 13 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide;2,2-dimethylpropyl N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]carbamate;ethyl N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]carbamate;1-ethyl-3-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]urea is sourced from PubChem (CID 159801265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).