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

C25H22N6O — CID 20789094

IUPACN-(2-phenylpropan-2-yl)-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide
SMILESCC(C)(NC(=O)c1cccc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)c1)c1ccccc1
InChIInChI=1S/C25H22N6O/c1-25(2,19-9-4-3-5-10-19)28-24(32)18-8-6-7-16(13-18)22-20-14-17(23-26-15-27-31-23)11-12-21(20)29-30-22/h3-15H,1-2H3,(H,28,32)(H,29,30)(H,26,27,31)
InChIKeyIOMQNWWKJXZKQT-UHFFFAOYSA-N
MW422.49 g/mol
LogP4.68
Rot. Bonds5

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

N-(2-phenylpropan-2-yl)-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide (PubChem CID 20789094) has the molecular formula C25H22N6O and a molecular weight of 422.49 g/mol. Its IUPAC name is N-(2-phenylpropan-2-yl)-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide.

Molecular Properties

Compound NameN-(2-phenylpropan-2-yl)-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide
PubChem CID20789094
Molecular FormulaC25H22N6O
Molecular Weight422.49 g/mol
Exact Mass422.19
IUPAC NameN-(2-phenylpropan-2-yl)-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide
SMILESCC(C)(NC(=O)c1cccc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)c1)c1ccccc1
InChIInChI=1S/C25H22N6O/c1-25(2,19-9-4-3-5-10-19)28-24(32)18-8-6-7-16(13-18)22-20-14-17(23-26-15-27-31-23)11-12-21(20)29-30-22/h3-15H,1-2H3,(H,28,32)(H,29,30)(H,26,27,31)
InChIKeyIOMQNWWKJXZKQT-UHFFFAOYSA-N
XLogP4.68
TPSA99.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 54.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-phenylpropan-2-yl)-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide?
The IUPAC name of N-(2-phenylpropan-2-yl)-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide (CID 20789094) is N-(2-phenylpropan-2-yl)-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide.
What is the SMILES notation for N-(2-phenylpropan-2-yl)-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide?
The canonical SMILES for N-(2-phenylpropan-2-yl)-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide is CC(C)(NC(=O)c1cccc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)c1)c1ccccc1.
What is the InChIKey of N-(2-phenylpropan-2-yl)-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide?
The InChIKey is IOMQNWWKJXZKQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N6O/c1-25(2,19-9-4-3-5-10-19)28-24(32)18-8-6-7-16(13-18)22-20-14-17(23-26-15-27-31-23)11-12-21(20)29-30-22/h3-15H,1-2H3,(H,28,32)(H,29,30)(H,26,27,31).
What are the key properties of N-(2-phenylpropan-2-yl)-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide?
N-(2-phenylpropan-2-yl)-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide has a molecular weight of 422.49 g/mol, XLogP of 4.68, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylpropan-2-yl)-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide is sourced from PubChem (CID 20789094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).