N-[4-[(6R)-3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]phenyl]-3-(2-fluorophenyl)propanamide

C23H25FN4O — CID 92620412

IUPACN-[4-[(6R)-3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]phenyl]-3-(2-fluorophenyl)propanamide
SMILESCCc1nnc2n1C[C@@H](c1ccc(NC(=O)CCc3ccccc3F)cc1)CC2
InChIInChI=1S/C23H25FN4O/c1-2-21-26-27-22-13-9-18(15-28(21)22)16-7-11-19(12-8-16)25-23(29)14-10-17-5-3-4-6-20(17)24/h3-8,11-12,18H,2,9-10,13-15H2,1H3,(H,25,29)/t18-/m0/s1
InChIKeyQMOGVXHMGYPLJJ-SFHVURJKSA-N
MW392.48 g/mol
LogP4.28
Rot. Bonds6

About N-[4-[(6R)-3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]phenyl]-3-(2-fluorophenyl)propanamide

N-[4-[(6R)-3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]phenyl]-3-(2-fluorophenyl)propanamide (PubChem CID 92620412) has the molecular formula C23H25FN4O and a molecular weight of 392.48 g/mol. Its IUPAC name is N-[4-[(6R)-3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]phenyl]-3-(2-fluorophenyl)propanamide.

Molecular Properties

Compound NameN-[4-[(6R)-3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]phenyl]-3-(2-fluorophenyl)propanamide
PubChem CID92620412
Molecular FormulaC23H25FN4O
Molecular Weight392.48 g/mol
Exact Mass392.20
IUPAC NameN-[4-[(6R)-3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]phenyl]-3-(2-fluorophenyl)propanamide
SMILESCCc1nnc2n1C[C@@H](c1ccc(NC(=O)CCc3ccccc3F)cc1)CC2
InChIInChI=1S/C23H25FN4O/c1-2-21-26-27-22-13-9-18(15-28(21)22)16-7-11-19(12-8-16)25-23(29)14-10-17-5-3-4-6-20(17)24/h3-8,11-12,18H,2,9-10,13-15H2,1H3,(H,25,29)/t18-/m0/s1
InChIKeyQMOGVXHMGYPLJJ-SFHVURJKSA-N
XLogP4.28
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[4-[(6R)-3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]phenyl]-3-(2-fluorophenyl)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-[4-(3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)phenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 110260331
N-[4-[3-(2-fluorophenyl)propanoylamino]phenyl]cyclopropanecarboxamide
CID 41266031
3-(2-fluorophenyl)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]propanamide
CID 56556359
N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-3-(2-fluorophenyl)propanamide
CID 35343898
3-(2-fluorophenyl)-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]propanamide
CID 9428151
3-[(2-fluorophenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CID 81496498
N-[4-(4-ethylpiperazin-1-yl)phenyl]-3-(2-fluorophenyl)propanamide
CID 17400855
methyl N-[3-[4-[4-[3-(2-fluorophenyl)propanoylamino]phenyl]piperidine-1-carbonyl]phenyl]carbamate
CID 171685110
3-(2-fluorophenyl)-N-(1-methyl-6-oxo-3-pyridinyl)propanamide
CID 47067445
3-(2-fluorophenyl)-N-[4-(trifluoromethyl)phenyl]propanamide
CID 26716432
3-(2-fluorophenyl)-N-[4-(propan-2-ylcarbamoylamino)phenyl]propanamide
CID 38196539
3-(2-fluorophenyl)-N-quinoxalin-6-ylpropanamide
CID 110723729

Frequently Asked Questions

What is the IUPAC name of N-[4-[(6R)-3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]phenyl]-3-(2-fluorophenyl)propanamide?
The IUPAC name of N-[4-[(6R)-3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]phenyl]-3-(2-fluorophenyl)propanamide (CID 92620412) is N-[4-[(6R)-3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]phenyl]-3-(2-fluorophenyl)propanamide.
What is the SMILES notation for N-[4-[(6R)-3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]phenyl]-3-(2-fluorophenyl)propanamide?
The canonical SMILES for N-[4-[(6R)-3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]phenyl]-3-(2-fluorophenyl)propanamide is CCc1nnc2n1C[C@@H](c1ccc(NC(=O)CCc3ccccc3F)cc1)CC2.
What is the InChIKey of N-[4-[(6R)-3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]phenyl]-3-(2-fluorophenyl)propanamide?
The InChIKey is QMOGVXHMGYPLJJ-SFHVURJKSA-N. The full InChI is InChI=1S/C23H25FN4O/c1-2-21-26-27-22-13-9-18(15-28(21)22)16-7-11-19(12-8-16)25-23(29)14-10-17-5-3-4-6-20(17)24/h3-8,11-12,18H,2,9-10,13-15H2,1H3,(H,25,29)/t18-/m0/s1.
What are the key properties of N-[4-[(6R)-3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]phenyl]-3-(2-fluorophenyl)propanamide?
N-[4-[(6R)-3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]phenyl]-3-(2-fluorophenyl)propanamide has a molecular weight of 392.48 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(6R)-3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]phenyl]-3-(2-fluorophenyl)propanamide is sourced from PubChem (CID 92620412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).