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

C22H24N6O2 — CID 164621590

IUPACN-(2-methoxyethyl)-3-[5-(4-propan-2-yl-1,2,4-triazol-3-yl)-1H-indazol-3-yl]benzamide
SMILESCOCCNC(=O)c1cccc(-c2n[nH]c3ccc(-c4nncn4C(C)C)cc23)c1
InChIInChI=1S/C22H24N6O2/c1-14(2)28-13-24-27-21(28)16-7-8-19-18(12-16)20(26-25-19)15-5-4-6-17(11-15)22(29)23-9-10-30-3/h4-8,11-14H,9-10H2,1-3H3,(H,23,29)(H,25,26)
InChIKeyLPIPFBRHOLOACR-UHFFFAOYSA-N
MW404.47 g/mol
LogP3.45
Rot. Bonds7

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

N-(2-methoxyethyl)-3-[5-(4-propan-2-yl-1,2,4-triazol-3-yl)-1H-indazol-3-yl]benzamide (PubChem CID 164621590) has the molecular formula C22H24N6O2 and a molecular weight of 404.47 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-[5-(4-propan-2-yl-1,2,4-triazol-3-yl)-1H-indazol-3-yl]benzamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-[5-(4-propan-2-yl-1,2,4-triazol-3-yl)-1H-indazol-3-yl]benzamide
PubChem CID164621590
Molecular FormulaC22H24N6O2
Molecular Weight404.47 g/mol
Exact Mass404.20
IUPAC NameN-(2-methoxyethyl)-3-[5-(4-propan-2-yl-1,2,4-triazol-3-yl)-1H-indazol-3-yl]benzamide
SMILESCOCCNC(=O)c1cccc(-c2n[nH]c3ccc(-c4nncn4C(C)C)cc23)c1
InChIInChI=1S/C22H24N6O2/c1-14(2)28-13-24-27-21(28)16-7-8-19-18(12-16)20(26-25-19)15-5-4-6-17(11-15)22(29)23-9-10-30-3/h4-8,11-14H,9-10H2,1-3H3,(H,23,29)(H,25,26)
InChIKeyLPIPFBRHOLOACR-UHFFFAOYSA-N
XLogP3.45
TPSA97.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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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
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-[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
5-(2,3-dimethylimidazol-4-yl)-N-[(1R,2R)-2-fluorocyclohexyl]-1H-indazole-3-carboxamide
CID 139431507
N-{1-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-4-yl}-1H-indole-5-carboxamide
CID 75528427
N~3~-[3-(Methoxymethyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-A]azepin-7-YL]-1H-indazole-3-carboxamide
CID 91910763
[3-(5-(1h-1,2,4-Triazol-5-yl)(1h-indazol-3-yl))phenyl]-n-(tert-butyl)carboxamide
CID 10067077
[3-(5-(1h-1,2,4-Triazol-5-yl)(1h-indazol-3-yl))phenyl]-n-indan-2-ylcarboxamide
CID 11166056
3-(5-(1H-1,2,4-Triazol-3-YL)(1H-indazol-3-YL))phenyl-N-(4-fluorophenyl)carboxamide
CID 11176981

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-3-[5-(4-propan-2-yl-1,2,4-triazol-3-yl)-1H-indazol-3-yl]benzamide?
The IUPAC name of N-(2-methoxyethyl)-3-[5-(4-propan-2-yl-1,2,4-triazol-3-yl)-1H-indazol-3-yl]benzamide (CID 164621590) is N-(2-methoxyethyl)-3-[5-(4-propan-2-yl-1,2,4-triazol-3-yl)-1H-indazol-3-yl]benzamide.
What is the SMILES notation for N-(2-methoxyethyl)-3-[5-(4-propan-2-yl-1,2,4-triazol-3-yl)-1H-indazol-3-yl]benzamide?
The canonical SMILES for N-(2-methoxyethyl)-3-[5-(4-propan-2-yl-1,2,4-triazol-3-yl)-1H-indazol-3-yl]benzamide is COCCNC(=O)c1cccc(-c2n[nH]c3ccc(-c4nncn4C(C)C)cc23)c1.
What is the InChIKey of N-(2-methoxyethyl)-3-[5-(4-propan-2-yl-1,2,4-triazol-3-yl)-1H-indazol-3-yl]benzamide?
The InChIKey is LPIPFBRHOLOACR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O2/c1-14(2)28-13-24-27-21(28)16-7-8-19-18(12-16)20(26-25-19)15-5-4-6-17(11-15)22(29)23-9-10-30-3/h4-8,11-14H,9-10H2,1-3H3,(H,23,29)(H,25,26).
What are the key properties of N-(2-methoxyethyl)-3-[5-(4-propan-2-yl-1,2,4-triazol-3-yl)-1H-indazol-3-yl]benzamide?
N-(2-methoxyethyl)-3-[5-(4-propan-2-yl-1,2,4-triazol-3-yl)-1H-indazol-3-yl]benzamide has a molecular weight of 404.47 g/mol, XLogP of 3.45, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3-[5-(4-propan-2-yl-1,2,4-triazol-3-yl)-1H-indazol-3-yl]benzamide is sourced from PubChem (CID 164621590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).