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

C23H18N6O — CID 20789121

IUPACN-benzyl-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide
SMILESO=C(NCc1ccccc1)c1cccc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)c1
InChIInChI=1S/C23H18N6O/c30-23(24-13-15-5-2-1-3-6-15)18-8-4-7-16(11-18)21-19-12-17(22-25-14-26-29-22)9-10-20(19)27-28-21/h1-12,14H,13H2,(H,24,30)(H,27,28)(H,25,26,29)
InChIKeyVLYOOCCAISGJGK-UHFFFAOYSA-N
MW394.44 g/mol
LogP3.94
Rot. Bonds5

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

N-benzyl-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide (PubChem CID 20789121) has the molecular formula C23H18N6O and a molecular weight of 394.44 g/mol. Its IUPAC name is N-benzyl-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide.

Molecular Properties

Compound NameN-benzyl-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide
PubChem CID20789121
Molecular FormulaC23H18N6O
Molecular Weight394.44 g/mol
Exact Mass394.15
IUPAC NameN-benzyl-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide
SMILESO=C(NCc1ccccc1)c1cccc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)c1
InChIInChI=1S/C23H18N6O/c30-23(24-13-15-5-2-1-3-6-15)18-8-4-7-16(11-18)21-19-12-17(22-25-14-26-29-22)9-10-20(19)27-28-21/h1-12,14H,13H2,(H,24,30)(H,27,28)(H,25,26,29)
InChIKeyVLYOOCCAISGJGK-UHFFFAOYSA-N
XLogP3.94
TPSA99.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.44
LogP ≤ 53.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(1-benzyltriazol-4-yl)-1H-indazol-3-yl]benzamide
CID 25164676
[3-(5-(3-[(Dimethylamino)methyl](1H-1,2,4-triazol-5-YL))(1H-indazol-3-YL))phenyl]-N-(4-fluorophenyl)carboxamide
CID 20789070
cyclopropyl-[(3S)-3-[[3-[4-(1H-indazol-5-yl)phenyl]-1,2,4-triazol-4-yl]methyl]pyrrolidin-1-yl]methanone
CID 56944776
N-[3-[5-(4-propan-2-yl-1,2,4-triazol-3-yl)-1H-indazol-3-yl]phenyl]-4-(trifluoromethyl)benzamide
CID 155671014
3-[5-(4-propan-2-yl-1,2,4-triazol-3-yl)-1H-indazol-3-yl]benzamide
CID 164614632
N-(1-methylpyrazol-4-yl)-3-[5-(4-propan-2-yl-1,2,4-triazol-3-yl)-1H-indazol-3-yl]benzamide
CID 164618063
N-(2-methoxyethyl)-3-[5-(4-propan-2-yl-1,2,4-triazol-3-yl)-1H-indazol-3-yl]benzamide
CID 164621590
N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]-4-(trifluoromethyl)benzamide
CID 164622373
N-cyclopropyl-3-[5-(4-propan-2-yl-1,2,4-triazol-3-yl)-1H-indazol-3-yl]benzamide
CID 164627776
N-[2-(1H-indol-3-yl)ethyl]-4-(1H-tetrazol-1-yl)benzamide
CID 2116123
2,4-dimethyl-N-{1-[4-({[(5-phenyl-4H-1,2,4-triazol-3-yl)methyl]amino}carbonyl)phenyl]-1H-pyrazol-4-yl}benzamide
CID 42359493
3-(1H-benzimidazol-2-yl)-N-[(1S)-2-(dimethylamino)-1-phenylethyl]-1H-indazole-5-carboxamide
CID 136176135

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide?
The IUPAC name of N-benzyl-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide (CID 20789121) is N-benzyl-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide.
What is the SMILES notation for N-benzyl-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide?
The canonical SMILES for N-benzyl-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide is O=C(NCc1ccccc1)c1cccc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)c1.
What is the InChIKey of N-benzyl-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide?
The InChIKey is VLYOOCCAISGJGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N6O/c30-23(24-13-15-5-2-1-3-6-15)18-8-4-7-16(11-18)21-19-12-17(22-25-14-26-29-22)9-10-20(19)27-28-21/h1-12,14H,13H2,(H,24,30)(H,27,28)(H,25,26,29).
What are the key properties of N-benzyl-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide?
N-benzyl-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide has a molecular weight of 394.44 g/mol, XLogP of 3.94, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide is sourced from PubChem (CID 20789121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).