3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-N-(3,3,3-trifluoropropyl)-[1,2,4]triazolo[4,3-a]pyridine-5-carboxamide;methane

C24H31F3N6O3 — CID 159411702

IUPAC3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-N-(3,3,3-trifluoropropyl)-[1,2,4]triazolo[4,3-a]pyridine-5-carboxamide;methane
SMILESC.CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnc2cccc(C(=O)NCCC(F)(F)F)n12
InChIInChI=1S/C23H27F3N6O3.CH4/c1-22(2,27)21(34)29-16(14-35-13-15-7-4-3-5-8-15)19-31-30-18-10-6-9-17(32(18)19)20(33)28-12-11-23(24,25)26;/h3-10,16H,11-14,27H2,1-2H3,(H,28,33)(H,29,34);1H4/t16-;/m1./s1
InChIKeyLOQRKJGOFPCSEU-PKLMIRHRSA-N
MW508.55 g/mol
LogP3.16
Rot. Bonds10

About 3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-N-(3,3,3-trifluoropropyl)-[1,2,4]triazolo[4,3-a]pyridine-5-carboxamide;methane

3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-N-(3,3,3-trifluoropropyl)-[1,2,4]triazolo[4,3-a]pyridine-5-carboxamide;methane (PubChem CID 159411702) has the molecular formula C24H31F3N6O3 and a molecular weight of 508.55 g/mol. Its IUPAC name is 3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-N-(3,3,3-trifluoropropyl)-[1,2,4]triazolo[4,3-a]pyridine-5-carboxamide;methane.

Molecular Properties

Compound Name3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-N-(3,3,3-trifluoropropyl)-[1,2,4]triazolo[4,3-a]pyridine-5-carboxamide;methane
PubChem CID159411702
Molecular FormulaC24H31F3N6O3
Molecular Weight508.55 g/mol
Exact Mass508.24
IUPAC Name3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-N-(3,3,3-trifluoropropyl)-[1,2,4]triazolo[4,3-a]pyridine-5-carboxamide;methane
SMILESC.CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnc2cccc(C(=O)NCCC(F)(F)F)n12
InChIInChI=1S/C23H27F3N6O3.CH4/c1-22(2,27)21(34)29-16(14-35-13-15-7-4-3-5-8-15)19-31-30-18-10-6-9-17(32(18)19)20(33)28-12-11-23(24,25)26;/h3-10,16H,11-14,27H2,1-2H3,(H,28,33)(H,29,34);1H4/t16-;/m1./s1
InChIKeyLOQRKJGOFPCSEU-PKLMIRHRSA-N
XLogP3.16
TPSA123.64 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.55
LogP ≤ 53.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-N-(3,3,3-trifluoropropyl)-[1,2,4]triazolo[4,3-a]pyridine-5-carboxamide;methane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-N-(3,3,3-trifluoropropyl)-[1,2,4]triazolo[4,3-a]pyridine-5-carboxamide;methane?
The IUPAC name of 3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-N-(3,3,3-trifluoropropyl)-[1,2,4]triazolo[4,3-a]pyridine-5-carboxamide;methane (CID 159411702) is 3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-N-(3,3,3-trifluoropropyl)-[1,2,4]triazolo[4,3-a]pyridine-5-carboxamide;methane.
What is the SMILES notation for 3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-N-(3,3,3-trifluoropropyl)-[1,2,4]triazolo[4,3-a]pyridine-5-carboxamide;methane?
The canonical SMILES for 3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-N-(3,3,3-trifluoropropyl)-[1,2,4]triazolo[4,3-a]pyridine-5-carboxamide;methane is C.CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnc2cccc(C(=O)NCCC(F)(F)F)n12.
What is the InChIKey of 3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-N-(3,3,3-trifluoropropyl)-[1,2,4]triazolo[4,3-a]pyridine-5-carboxamide;methane?
The InChIKey is LOQRKJGOFPCSEU-PKLMIRHRSA-N. The full InChI is InChI=1S/C23H27F3N6O3.CH4/c1-22(2,27)21(34)29-16(14-35-13-15-7-4-3-5-8-15)19-31-30-18-10-6-9-17(32(18)19)20(33)28-12-11-23(24,25)26;/h3-10,16H,11-14,27H2,1-2H3,(H,28,33)(H,29,34);1H4/t16-;/m1./s1.
What are the key properties of 3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-N-(3,3,3-trifluoropropyl)-[1,2,4]triazolo[4,3-a]pyridine-5-carboxamide;methane?
3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-N-(3,3,3-trifluoropropyl)-[1,2,4]triazolo[4,3-a]pyridine-5-carboxamide;methane has a molecular weight of 508.55 g/mol, XLogP of 3.16, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-N-(3,3,3-trifluoropropyl)-[1,2,4]triazolo[4,3-a]pyridine-5-carboxamide;methane is sourced from PubChem (CID 159411702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).