N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide

C24H18N6O3 — CID 11476131

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)c1cccc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)c1
InChIInChI=1S/C24H18N6O3/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/h1-7,10-13H,8-9H2,(H,27,31)(H,28,29)(H,25,26,30)
InChIKeyNKAMNZFYSATYGZ-UHFFFAOYSA-N
MW438.45 g/mol
LogP4.04
Rot. Bonds4

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide (PubChem CID 11476131) has the molecular formula C24H18N6O3 and a molecular weight of 438.45 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.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide
PubChem CID11476131
Molecular FormulaC24H18N6O3
Molecular Weight438.45 g/mol
Exact Mass438.14
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)c1cccc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)c1
InChIInChI=1S/C24H18N6O3/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/h1-7,10-13H,8-9H2,(H,27,31)(H,28,29)(H,25,26,30)
InChIKeyNKAMNZFYSATYGZ-UHFFFAOYSA-N
XLogP4.04
TPSA117.81 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.45
LogP ≤ 54.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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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?
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 (CID 11476131) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide.
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?
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 is 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?
The InChIKey is NKAMNZFYSATYGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N6O3/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/h1-7,10-13H,8-9H2,(H,27,31)(H,28,29)(H,25,26,30).
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?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide has a molecular weight of 438.45 g/mol, XLogP of 4.04, 4 rotatable bonds, 3 hydrogen bond donors, and 6 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 is sourced from PubChem (CID 11476131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).