benzyl N-[3-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]amino]-1H-indazol-5-yl]carbamate

C25H22N4O5 — CID 177233354

IUPACbenzyl N-[3-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]amino]-1H-indazol-5-yl]carbamate
SMILESO=C(Cc1ccc2c(c1)OCCO2)Nc1n[nH]c2ccc(NC(=O)OCc3ccccc3)cc12
InChIInChI=1S/C25H22N4O5/c30-23(13-17-6-9-21-22(12-17)33-11-10-32-21)27-24-19-14-18(7-8-20(19)28-29-24)26-25(31)34-15-16-4-2-1-3-5-16/h1-9,12,14H,10-11,13,15H2,(H,26,31)(H2,27,28,29,30)
InChIKeyPEIZDMPNPDCLJK-UHFFFAOYSA-N
MW458.47 g/mol
LogP4.26
Rot. Bonds6

About benzyl N-[3-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]amino]-1H-indazol-5-yl]carbamate

benzyl N-[3-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]amino]-1H-indazol-5-yl]carbamate (PubChem CID 177233354) has the molecular formula C25H22N4O5 and a molecular weight of 458.47 g/mol. Its IUPAC name is benzyl N-[3-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]amino]-1H-indazol-5-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[3-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]amino]-1H-indazol-5-yl]carbamate
PubChem CID177233354
Molecular FormulaC25H22N4O5
Molecular Weight458.47 g/mol
Exact Mass458.16
IUPAC Namebenzyl N-[3-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]amino]-1H-indazol-5-yl]carbamate
SMILESO=C(Cc1ccc2c(c1)OCCO2)Nc1n[nH]c2ccc(NC(=O)OCc3ccccc3)cc12
InChIInChI=1S/C25H22N4O5/c30-23(13-17-6-9-21-22(12-17)33-11-10-32-21)27-24-19-14-18(7-8-20(19)28-29-24)26-25(31)34-15-16-4-2-1-3-5-16/h1-9,12,14H,10-11,13,15H2,(H,26,31)(H2,27,28,29,30)
InChIKeyPEIZDMPNPDCLJK-UHFFFAOYSA-N
XLogP4.26
TPSA114.57 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.47
LogP ≤ 54.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze benzyl N-[3-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]amino]-1H-indazol-5-yl]carbamate with MolForge

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Related Compounds

[3-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]amino]-1H-indazol-5-yl]carbamic acid
CID 177233031
2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[5-(2-phenylethyl)-1H-indazol-3-yl]acetamide
CID 177233021
N-(5-cyclopropyl-1H-indazol-3-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 177233134
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[5-(pyridin-3-ylsulfonylamino)-1H-indazol-3-yl]acetamide
CID 177233074
N-(5-chloro-1H-indazol-3-yl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide
CID 177233091
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[5-(1,3,5-triazin-2-yloxy)-1H-indazol-3-yl]acetamide
CID 177233030
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[5-[3-(dimethylamino)phenyl]-1H-indazol-3-yl]acetamide
CID 177233153
N-[5-(1H-benzimidazol-2-yl)-1H-indazol-3-yl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 177233182
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[5-(oxolan-3-ylsulfonylamino)-1H-indazol-3-yl]acetamide
CID 177233438
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(6-hydroxy-1H-pyrazolo[5,4-c]pyridin-6-ium-3-yl)acetamide
CID 177232998
N-[3-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]amino]-1H-indazol-6-yl]-3-methylbutanamide
CID 177233337
N-[3-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]amino]-1H-indazol-6-yl]-3-methylbutanamide;ethane
CID 177233360

Frequently Asked Questions

What is the IUPAC name of benzyl N-[3-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]amino]-1H-indazol-5-yl]carbamate?
The IUPAC name of benzyl N-[3-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]amino]-1H-indazol-5-yl]carbamate (CID 177233354) is benzyl N-[3-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]amino]-1H-indazol-5-yl]carbamate.
What is the SMILES notation for benzyl N-[3-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]amino]-1H-indazol-5-yl]carbamate?
The canonical SMILES for benzyl N-[3-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]amino]-1H-indazol-5-yl]carbamate is O=C(Cc1ccc2c(c1)OCCO2)Nc1n[nH]c2ccc(NC(=O)OCc3ccccc3)cc12.
What is the InChIKey of benzyl N-[3-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]amino]-1H-indazol-5-yl]carbamate?
The InChIKey is PEIZDMPNPDCLJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O5/c30-23(13-17-6-9-21-22(12-17)33-11-10-32-21)27-24-19-14-18(7-8-20(19)28-29-24)26-25(31)34-15-16-4-2-1-3-5-16/h1-9,12,14H,10-11,13,15H2,(H,26,31)(H2,27,28,29,30).
What are the key properties of benzyl N-[3-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]amino]-1H-indazol-5-yl]carbamate?
benzyl N-[3-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]amino]-1H-indazol-5-yl]carbamate has a molecular weight of 458.47 g/mol, XLogP of 4.26, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[3-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]amino]-1H-indazol-5-yl]carbamate is sourced from PubChem (CID 177233354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).