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

C19H18N6O — CID 164614632

IUPAC3-[5-(4-propan-2-yl-1,2,4-triazol-3-yl)-1H-indazol-3-yl]benzamide
SMILESCC(C)n1cnnc1-c1ccc2[nH]nc(-c3cccc(C(N)=O)c3)c2c1
InChIInChI=1S/C19H18N6O/c1-11(2)25-10-21-24-19(25)14-6-7-16-15(9-14)17(23-22-16)12-4-3-5-13(8-12)18(20)26/h3-11H,1-2H3,(H2,20,26)(H,22,23)
InChIKeyJSWLJXRMCFUPOG-UHFFFAOYSA-N
MW346.39 g/mol
LogP3.17
Rot. Bonds4

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

3-[5-(4-propan-2-yl-1,2,4-triazol-3-yl)-1H-indazol-3-yl]benzamide (PubChem CID 164614632) has the molecular formula C19H18N6O and a molecular weight of 346.39 g/mol. Its IUPAC name is 3-[5-(4-propan-2-yl-1,2,4-triazol-3-yl)-1H-indazol-3-yl]benzamide.

Molecular Properties

Compound Name3-[5-(4-propan-2-yl-1,2,4-triazol-3-yl)-1H-indazol-3-yl]benzamide
PubChem CID164614632
Molecular FormulaC19H18N6O
Molecular Weight346.39 g/mol
Exact Mass346.15
IUPAC Name3-[5-(4-propan-2-yl-1,2,4-triazol-3-yl)-1H-indazol-3-yl]benzamide
SMILESCC(C)n1cnnc1-c1ccc2[nH]nc(-c3cccc(C(N)=O)c3)c2c1
InChIInChI=1S/C19H18N6O/c1-11(2)25-10-21-24-19(25)14-6-7-16-15(9-14)17(23-22-16)12-4-3-5-13(8-12)18(20)26/h3-11H,1-2H3,(H2,20,26)(H,22,23)
InChIKeyJSWLJXRMCFUPOG-UHFFFAOYSA-N
XLogP3.17
TPSA102.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(5-(3-[(Dimethylamino)methyl](1H-1,2,4-triazol-5-YL))(1H-indazol-3-YL))phenyl]-N-(4-fluorophenyl)carboxamide
CID 20789070
1-methyl-3-{1-[(3-methylphenyl)acetyl]-2,3-dihydro-1H-indol-5-yl}-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 53469630
cyclopropyl-[(3S)-3-[[3-[4-(1H-indazol-5-yl)phenyl]-1,2,4-triazol-4-yl]methyl]pyrrolidin-1-yl]methanone
CID 56944776
N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(1H-pyrazol-4-yl)-1H-indole-2-carboxamide
CID 155671006
N-[3-[5-(4-propan-2-yl-1,2,4-triazol-3-yl)-1H-indazol-3-yl]phenyl]-4-(trifluoromethyl)benzamide
CID 155671014
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-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-7-(1H-pyrazol-4-yl)-1H-indole-2-carboxamide
CID 164627789
3-(1H-benzimidazol-2-yl)-N-[(1S)-2-(dimethylamino)-1-phenylethyl]-1H-indazole-5-carboxamide
CID 136176135
3-imidazo[1,2-a]pyridin-6-yl-N-[3-(1,2,4-triazol-1-ylmethyl)cyclohexyl]-1H-indazole-5-carboxamide
CID 57411846

Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-propan-2-yl-1,2,4-triazol-3-yl)-1H-indazol-3-yl]benzamide?
The IUPAC name of 3-[5-(4-propan-2-yl-1,2,4-triazol-3-yl)-1H-indazol-3-yl]benzamide (CID 164614632) is 3-[5-(4-propan-2-yl-1,2,4-triazol-3-yl)-1H-indazol-3-yl]benzamide.
What is the SMILES notation for 3-[5-(4-propan-2-yl-1,2,4-triazol-3-yl)-1H-indazol-3-yl]benzamide?
The canonical SMILES for 3-[5-(4-propan-2-yl-1,2,4-triazol-3-yl)-1H-indazol-3-yl]benzamide is CC(C)n1cnnc1-c1ccc2[nH]nc(-c3cccc(C(N)=O)c3)c2c1.
What is the InChIKey of 3-[5-(4-propan-2-yl-1,2,4-triazol-3-yl)-1H-indazol-3-yl]benzamide?
The InChIKey is JSWLJXRMCFUPOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O/c1-11(2)25-10-21-24-19(25)14-6-7-16-15(9-14)17(23-22-16)12-4-3-5-13(8-12)18(20)26/h3-11H,1-2H3,(H2,20,26)(H,22,23).
What are the key properties of 3-[5-(4-propan-2-yl-1,2,4-triazol-3-yl)-1H-indazol-3-yl]benzamide?
3-[5-(4-propan-2-yl-1,2,4-triazol-3-yl)-1H-indazol-3-yl]benzamide has a molecular weight of 346.39 g/mol, XLogP of 3.17, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-propan-2-yl-1,2,4-triazol-3-yl)-1H-indazol-3-yl]benzamide is sourced from PubChem (CID 164614632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).