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

C25H20N6O — CID 11166056

IUPACN-(2,3-dihydro-1H-inden-2-yl)-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide
SMILESO=C(NC1Cc2ccccc2C1)c1cccc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)c1
InChIInChI=1S/C25H20N6O/c32-25(28-20-11-15-4-1-2-5-16(15)12-20)19-7-3-6-17(10-19)23-21-13-18(24-26-14-27-31-24)8-9-22(21)29-30-23/h1-10,13-14,20H,11-12H2,(H,28,32)(H,29,30)(H,26,27,31)
InChIKeyGMINVBGONPOXIJ-UHFFFAOYSA-N
MW420.48 g/mol
LogP3.91
Rot. Bonds4

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

N-(2,3-dihydro-1H-inden-2-yl)-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide (PubChem CID 11166056) has the molecular formula C25H20N6O and a molecular weight of 420.48 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-2-yl)-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-2-yl)-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide
PubChem CID11166056
Molecular FormulaC25H20N6O
Molecular Weight420.48 g/mol
Exact Mass420.17
IUPAC NameN-(2,3-dihydro-1H-inden-2-yl)-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide
SMILESO=C(NC1Cc2ccccc2C1)c1cccc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)c1
InChIInChI=1S/C25H20N6O/c32-25(28-20-11-15-4-1-2-5-16(15)12-20)19-7-3-6-17(10-19)23-21-13-18(24-26-14-27-31-24)8-9-22(21)29-30-23/h1-10,13-14,20H,11-12H2,(H,28,32)(H,29,30)(H,26,27,31)
InChIKeyGMINVBGONPOXIJ-UHFFFAOYSA-N
XLogP3.91
TPSA99.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.48
LogP ≤ 53.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-2-yl)-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-2-yl)-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide (CID 11166056) is N-(2,3-dihydro-1H-inden-2-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-1H-inden-2-yl)-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-2-yl)-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide is O=C(NC1Cc2ccccc2C1)c1cccc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)c1.
What is the InChIKey of N-(2,3-dihydro-1H-inden-2-yl)-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide?
The InChIKey is GMINVBGONPOXIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N6O/c32-25(28-20-11-15-4-1-2-5-16(15)12-20)19-7-3-6-17(10-19)23-21-13-18(24-26-14-27-31-24)8-9-22(21)29-30-23/h1-10,13-14,20H,11-12H2,(H,28,32)(H,29,30)(H,26,27,31).
What are the key properties of N-(2,3-dihydro-1H-inden-2-yl)-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide?
N-(2,3-dihydro-1H-inden-2-yl)-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide has a molecular weight of 420.48 g/mol, XLogP of 3.91, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-2-yl)-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide is sourced from PubChem (CID 11166056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).