N-[[2-(2-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]-3-(1,2,4-triazol-1-yl)propanamide

C21H20FN5O — CID 42525375

IUPACN-[[2-(2-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]-3-(1,2,4-triazol-1-yl)propanamide
SMILESCc1c(-c2ccccc2F)[nH]c2ccc(CNC(=O)CCn3cncn3)cc12
InChIInChI=1S/C21H20FN5O/c1-14-17-10-15(11-24-20(28)8-9-27-13-23-12-25-27)6-7-19(17)26-21(14)16-4-2-3-5-18(16)22/h2-7,10,12-13,26H,8-9,11H2,1H3,(H,24,28)
InChIKeySGFIIDURZDHMSG-UHFFFAOYSA-N
MW377.42 g/mol
LogP3.58
Rot. Bonds6

About N-[[2-(2-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]-3-(1,2,4-triazol-1-yl)propanamide

N-[[2-(2-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]-3-(1,2,4-triazol-1-yl)propanamide (PubChem CID 42525375) has the molecular formula C21H20FN5O and a molecular weight of 377.42 g/mol. Its IUPAC name is N-[[2-(2-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]-3-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[[2-(2-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]-3-(1,2,4-triazol-1-yl)propanamide
PubChem CID42525375
Molecular FormulaC21H20FN5O
Molecular Weight377.42 g/mol
Exact Mass377.17
IUPAC NameN-[[2-(2-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]-3-(1,2,4-triazol-1-yl)propanamide
SMILESCc1c(-c2ccccc2F)[nH]c2ccc(CNC(=O)CCn3cncn3)cc12
InChIInChI=1S/C21H20FN5O/c1-14-17-10-15(11-24-20(28)8-9-27-13-23-12-25-27)6-7-19(17)26-21(14)16-4-2-3-5-18(16)22/h2-7,10,12-13,26H,8-9,11H2,1H3,(H,24,28)
InChIKeySGFIIDURZDHMSG-UHFFFAOYSA-N
XLogP3.58
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[[2-(2-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]-3-(1,2,4-triazol-1-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[2-(2-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]-2-hydroxybutanamide
CID 56864638
N-[(3-fluorophenyl)methyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 47161044
N-[[2-(2-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]-2-[(2R)-5-oxopyrrolidin-2-yl]acetamide
CID 42288017
N-[[2-(2-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 56862846
N-[[2-(2-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]pyrrolidine-2-carboxamide
CID 70730908
N-[[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]methyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 167807626
N-(pyridin-3-ylmethyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 35582382
2-[[2-(2-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]pyrimidine-5-carboxamide
CID 175822055
2-N-[[2-(2-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]pyrimidine-2,4-diamine
CID 56876919
N-[[2-(2-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]-5-methyl-1,2-oxazole-4-sulfonamide
CID 56874111
N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 32627824
N-(2,1,3-benzoxadiazol-5-ylmethyl)-4-(1,2,4-triazol-1-yl)butanamide
CID 91762133

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]-3-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of N-[[2-(2-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]-3-(1,2,4-triazol-1-yl)propanamide (CID 42525375) is N-[[2-(2-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]-3-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for N-[[2-(2-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]-3-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for N-[[2-(2-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]-3-(1,2,4-triazol-1-yl)propanamide is Cc1c(-c2ccccc2F)[nH]c2ccc(CNC(=O)CCn3cncn3)cc12.
What is the InChIKey of N-[[2-(2-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]-3-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is SGFIIDURZDHMSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN5O/c1-14-17-10-15(11-24-20(28)8-9-27-13-23-12-25-27)6-7-19(17)26-21(14)16-4-2-3-5-18(16)22/h2-7,10,12-13,26H,8-9,11H2,1H3,(H,24,28).
What are the key properties of N-[[2-(2-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]-3-(1,2,4-triazol-1-yl)propanamide?
N-[[2-(2-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]-3-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 377.42 g/mol, XLogP of 3.58, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]-3-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 42525375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).