N-[2-[3-[2-fluoro-4-(2-morpholin-4-ylethyl)phenyl]-5-(3-methoxyphenyl)-1,2,4-triazol-1-yl]propan-2-yl]acetamide

C26H32FN5O3 — CID 140758250

IUPACN-[2-[3-[2-fluoro-4-(2-morpholin-4-ylethyl)phenyl]-5-(3-methoxyphenyl)-1,2,4-triazol-1-yl]propan-2-yl]acetamide
SMILESCOc1cccc(-c2nc(-c3ccc(CCN4CCOCC4)cc3F)nn2C(C)(C)NC(C)=O)c1
InChIInChI=1S/C26H32FN5O3/c1-18(33)29-26(2,3)32-25(20-6-5-7-21(17-20)34-4)28-24(30-32)22-9-8-19(16-23(22)27)10-11-31-12-14-35-15-13-31/h5-9,16-17H,10-15H2,1-4H3,(H,29,33)
InChIKeyNGYNGUNNIRAQSS-UHFFFAOYSA-N
MW481.57 g/mol
LogP3.46
Rot. Bonds8

About N-[2-[3-[2-fluoro-4-(2-morpholin-4-ylethyl)phenyl]-5-(3-methoxyphenyl)-1,2,4-triazol-1-yl]propan-2-yl]acetamide

N-[2-[3-[2-fluoro-4-(2-morpholin-4-ylethyl)phenyl]-5-(3-methoxyphenyl)-1,2,4-triazol-1-yl]propan-2-yl]acetamide (PubChem CID 140758250) has the molecular formula C26H32FN5O3 and a molecular weight of 481.57 g/mol. Its IUPAC name is N-[2-[3-[2-fluoro-4-(2-morpholin-4-ylethyl)phenyl]-5-(3-methoxyphenyl)-1,2,4-triazol-1-yl]propan-2-yl]acetamide.

Molecular Properties

Compound NameN-[2-[3-[2-fluoro-4-(2-morpholin-4-ylethyl)phenyl]-5-(3-methoxyphenyl)-1,2,4-triazol-1-yl]propan-2-yl]acetamide
PubChem CID140758250
Molecular FormulaC26H32FN5O3
Molecular Weight481.57 g/mol
Exact Mass481.25
IUPAC NameN-[2-[3-[2-fluoro-4-(2-morpholin-4-ylethyl)phenyl]-5-(3-methoxyphenyl)-1,2,4-triazol-1-yl]propan-2-yl]acetamide
SMILESCOc1cccc(-c2nc(-c3ccc(CCN4CCOCC4)cc3F)nn2C(C)(C)NC(C)=O)c1
InChIInChI=1S/C26H32FN5O3/c1-18(33)29-26(2,3)32-25(20-6-5-7-21(17-20)34-4)28-24(30-32)22-9-8-19(16-23(22)27)10-11-31-12-14-35-15-13-31/h5-9,16-17H,10-15H2,1-4H3,(H,29,33)
InChIKeyNGYNGUNNIRAQSS-UHFFFAOYSA-N
XLogP3.46
TPSA81.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.57
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[2-[3-[2-fluoro-4-(2-morpholin-4-ylethyl)phenyl]-5-(3-methoxyphenyl)-1,2,4-triazol-1-yl]propan-2-yl]acetamide 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 N-[2-[3-[2-fluoro-4-(2-morpholin-4-ylethyl)phenyl]-5-(3-methoxyphenyl)-1,2,4-triazol-1-yl]propan-2-yl]acetamide?
The IUPAC name of N-[2-[3-[2-fluoro-4-(2-morpholin-4-ylethyl)phenyl]-5-(3-methoxyphenyl)-1,2,4-triazol-1-yl]propan-2-yl]acetamide (CID 140758250) is N-[2-[3-[2-fluoro-4-(2-morpholin-4-ylethyl)phenyl]-5-(3-methoxyphenyl)-1,2,4-triazol-1-yl]propan-2-yl]acetamide.
What is the SMILES notation for N-[2-[3-[2-fluoro-4-(2-morpholin-4-ylethyl)phenyl]-5-(3-methoxyphenyl)-1,2,4-triazol-1-yl]propan-2-yl]acetamide?
The canonical SMILES for N-[2-[3-[2-fluoro-4-(2-morpholin-4-ylethyl)phenyl]-5-(3-methoxyphenyl)-1,2,4-triazol-1-yl]propan-2-yl]acetamide is COc1cccc(-c2nc(-c3ccc(CCN4CCOCC4)cc3F)nn2C(C)(C)NC(C)=O)c1.
What is the InChIKey of N-[2-[3-[2-fluoro-4-(2-morpholin-4-ylethyl)phenyl]-5-(3-methoxyphenyl)-1,2,4-triazol-1-yl]propan-2-yl]acetamide?
The InChIKey is NGYNGUNNIRAQSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32FN5O3/c1-18(33)29-26(2,3)32-25(20-6-5-7-21(17-20)34-4)28-24(30-32)22-9-8-19(16-23(22)27)10-11-31-12-14-35-15-13-31/h5-9,16-17H,10-15H2,1-4H3,(H,29,33).
What are the key properties of N-[2-[3-[2-fluoro-4-(2-morpholin-4-ylethyl)phenyl]-5-(3-methoxyphenyl)-1,2,4-triazol-1-yl]propan-2-yl]acetamide?
N-[2-[3-[2-fluoro-4-(2-morpholin-4-ylethyl)phenyl]-5-(3-methoxyphenyl)-1,2,4-triazol-1-yl]propan-2-yl]acetamide has a molecular weight of 481.57 g/mol, XLogP of 3.46, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-[2-fluoro-4-(2-morpholin-4-ylethyl)phenyl]-5-(3-methoxyphenyl)-1,2,4-triazol-1-yl]propan-2-yl]acetamide is sourced from PubChem (CID 140758250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).