N-[[8-(3,4-dichlorophenyl)-3-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methyl]acetamide

C26H25Cl2N5O3 — CID 66603938

IUPACN-[[8-(3,4-dichlorophenyl)-3-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methyl]acetamide
SMILESCOc1cc(-c2nnc3n2CCCC3(CNC(C)=O)c2ccc(Cl)c(Cl)c2)ccc1-c1cnc(C)o1
InChIInChI=1S/C26H25Cl2N5O3/c1-15(34)30-14-26(18-6-8-20(27)21(28)12-18)9-4-10-33-24(31-32-25(26)33)17-5-7-19(22(11-17)35-3)23-13-29-16(2)36-23/h5-8,11-13H,4,9-10,14H2,1-3H3,(H,30,34)
InChIKeyUAXGJIRABTWULW-UHFFFAOYSA-N
MW526.42 g/mol
LogP5.44
Rot. Bonds6

About N-[[8-(3,4-dichlorophenyl)-3-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methyl]acetamide

N-[[8-(3,4-dichlorophenyl)-3-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methyl]acetamide (PubChem CID 66603938) has the molecular formula C26H25Cl2N5O3 and a molecular weight of 526.42 g/mol. Its IUPAC name is N-[[8-(3,4-dichlorophenyl)-3-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[8-(3,4-dichlorophenyl)-3-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methyl]acetamide
PubChem CID66603938
Molecular FormulaC26H25Cl2N5O3
Molecular Weight526.42 g/mol
Exact Mass525.13
IUPAC NameN-[[8-(3,4-dichlorophenyl)-3-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methyl]acetamide
SMILESCOc1cc(-c2nnc3n2CCCC3(CNC(C)=O)c2ccc(Cl)c(Cl)c2)ccc1-c1cnc(C)o1
InChIInChI=1S/C26H25Cl2N5O3/c1-15(34)30-14-26(18-6-8-20(27)21(28)12-18)9-4-10-33-24(31-32-25(26)33)17-5-7-19(22(11-17)35-3)23-13-29-16(2)36-23/h5-8,11-13H,4,9-10,14H2,1-3H3,(H,30,34)
InChIKeyUAXGJIRABTWULW-UHFFFAOYSA-N
XLogP5.44
TPSA95.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.42
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[[8-(3,4-dichlorophenyl)-3-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methyl]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-[[8-(3,4-dichlorophenyl)-3-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methyl]acetamide?
The IUPAC name of N-[[8-(3,4-dichlorophenyl)-3-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methyl]acetamide (CID 66603938) is N-[[8-(3,4-dichlorophenyl)-3-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methyl]acetamide.
What is the SMILES notation for N-[[8-(3,4-dichlorophenyl)-3-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methyl]acetamide?
The canonical SMILES for N-[[8-(3,4-dichlorophenyl)-3-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methyl]acetamide is COc1cc(-c2nnc3n2CCCC3(CNC(C)=O)c2ccc(Cl)c(Cl)c2)ccc1-c1cnc(C)o1.
What is the InChIKey of N-[[8-(3,4-dichlorophenyl)-3-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methyl]acetamide?
The InChIKey is UAXGJIRABTWULW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25Cl2N5O3/c1-15(34)30-14-26(18-6-8-20(27)21(28)12-18)9-4-10-33-24(31-32-25(26)33)17-5-7-19(22(11-17)35-3)23-13-29-16(2)36-23/h5-8,11-13H,4,9-10,14H2,1-3H3,(H,30,34).
What are the key properties of N-[[8-(3,4-dichlorophenyl)-3-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methyl]acetamide?
N-[[8-(3,4-dichlorophenyl)-3-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methyl]acetamide has a molecular weight of 526.42 g/mol, XLogP of 5.44, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[8-(3,4-dichlorophenyl)-3-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methyl]acetamide is sourced from PubChem (CID 66603938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).