N-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide

C15H17FN6O — CID 119069664

IUPACN-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide
SMILESCc1[nH]c2ccc(F)cc2c1CC(=O)NCCc1nc(N)n[nH]1
InChIInChI=1S/C15H17FN6O/c1-8-10(11-6-9(16)2-3-12(11)19-8)7-14(23)18-5-4-13-20-15(17)22-21-13/h2-3,6,19H,4-5,7H2,1H3,(H,18,23)(H3,17,20,21,22)
InChIKeyROWASLQNSNATRV-UHFFFAOYSA-N
MW316.34 g/mol
LogP1.22
Rot. Bonds5

About N-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide

N-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide (PubChem CID 119069664) has the molecular formula C15H17FN6O and a molecular weight of 316.34 g/mol. Its IUPAC name is N-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide
PubChem CID119069664
Molecular FormulaC15H17FN6O
Molecular Weight316.34 g/mol
Exact Mass316.14
IUPAC NameN-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide
SMILESCc1[nH]c2ccc(F)cc2c1CC(=O)NCCc1nc(N)n[nH]1
InChIInChI=1S/C15H17FN6O/c1-8-10(11-6-9(16)2-3-12(11)19-8)7-14(23)18-5-4-13-20-15(17)22-21-13/h2-3,6,19H,4-5,7H2,1H3,(H,18,23)(H3,17,20,21,22)
InChIKeyROWASLQNSNATRV-UHFFFAOYSA-N
XLogP1.22
TPSA112.48 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.34
LogP ≤ 51.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

N-[6-(2-fluorophenyl)-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-1H-indole-2-carboxamide
CID 13822923
[3-(5-(3-[(Dimethylamino)methyl](1H-1,2,4-triazol-5-YL))(1H-indazol-3-YL))phenyl]-N-(4-fluorophenyl)carboxamide
CID 20789070
1-(6-methylpyridin-2-yl)-2-[(5-phenyl-4H-1,2,4-triazol-3-yl)acetyl]-2,3,4,9-tetrahydro-1H-beta-carboline
CID 16187825
N-((1-(4-fluorophenyl)-1H-tetrazol-5-yl)methyl)-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide
CID 16799309
N-((1-(3-fluorophenyl)-1H-tetrazol-5-yl)methyl)-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide
CID 18565667
1-(6-methyl-2-pyridinyl)-2-[(3-methyl-1H-1,2,4-triazol-5-yl)acetyl]-2,3,4,9-tetrahydro-1H-beta-carboline
CID 16190056
N-{[2-(2-Fluorophenyl)-3-methyl-1H-indol-5-YL]methyl}-3-(5-methyl-1H-1,2,4-triazol-3-YL)propanamide
CID 70769039
1-{2-[5-(4-Fluorophenyl)-4H-1,2,4-triazol-3-YL]pyrrolidin-1-YL}-3-(1H-indol-3-YL)propan-1-one
CID 124041132
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(1H-indol-3-yl)acetamide
CID 9860507
3-[5-[5-[(dimethylamino)methyl]-1H-1,2,4-triazol-3-yl]-1H-indazol-3-yl]-N-[(4-fluorophenyl)methyl]benzamide
CID 20789067
(5R)-1-[(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)amino]-5-methylpyrrolidin-2-one
CID 176491782
(5S)-1-[(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)amino]-5-methylpyrrolidin-2-one
CID 176491783

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide?
The IUPAC name of N-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide (CID 119069664) is N-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide.
What is the SMILES notation for N-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide?
The canonical SMILES for N-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide is Cc1[nH]c2ccc(F)cc2c1CC(=O)NCCc1nc(N)n[nH]1.
What is the InChIKey of N-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide?
The InChIKey is ROWASLQNSNATRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN6O/c1-8-10(11-6-9(16)2-3-12(11)19-8)7-14(23)18-5-4-13-20-15(17)22-21-13/h2-3,6,19H,4-5,7H2,1H3,(H,18,23)(H3,17,20,21,22).
What are the key properties of N-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide?
N-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide has a molecular weight of 316.34 g/mol, XLogP of 1.22, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide is sourced from PubChem (CID 119069664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).