8-[(3,4-difluorophenyl)methyl]-3-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide

C25H23F2N5O3 — CID 66604091

IUPAC8-[(3,4-difluorophenyl)methyl]-3-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
SMILESCOc1cc(-c2nnc3n2CCCC3(Cc2ccc(F)c(F)c2)C(N)=O)ccc1-c1cnc(C)o1
InChIInChI=1S/C25H23F2N5O3/c1-14-29-13-21(35-14)17-6-5-16(11-20(17)34-2)22-30-31-24-25(23(28)33,8-3-9-32(22)24)12-15-4-7-18(26)19(27)10-15/h4-7,10-11,13H,3,8-9,12H2,1-2H3,(H2,28,33)
InChIKeyWHFFUFGTQVHTKG-UHFFFAOYSA-N
MW479.49 g/mol
LogP3.95
Rot. Bonds6

About 8-[(3,4-difluorophenyl)methyl]-3-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide

8-[(3,4-difluorophenyl)methyl]-3-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide (PubChem CID 66604091) has the molecular formula C25H23F2N5O3 and a molecular weight of 479.49 g/mol. Its IUPAC name is 8-[(3,4-difluorophenyl)methyl]-3-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide.

Molecular Properties

Compound Name8-[(3,4-difluorophenyl)methyl]-3-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
PubChem CID66604091
Molecular FormulaC25H23F2N5O3
Molecular Weight479.49 g/mol
Exact Mass479.18
IUPAC Name8-[(3,4-difluorophenyl)methyl]-3-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
SMILESCOc1cc(-c2nnc3n2CCCC3(Cc2ccc(F)c(F)c2)C(N)=O)ccc1-c1cnc(C)o1
InChIInChI=1S/C25H23F2N5O3/c1-14-29-13-21(35-14)17-6-5-16(11-20(17)34-2)22-30-31-24-25(23(28)33,8-3-9-32(22)24)12-15-4-7-18(26)19(27)10-15/h4-7,10-11,13H,3,8-9,12H2,1-2H3,(H2,28,33)
InChIKeyWHFFUFGTQVHTKG-UHFFFAOYSA-N
XLogP3.95
TPSA109.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.49
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 8-[(3,4-difluorophenyl)methyl]-3-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide 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 8-[(3,4-difluorophenyl)methyl]-3-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide?
The IUPAC name of 8-[(3,4-difluorophenyl)methyl]-3-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide (CID 66604091) is 8-[(3,4-difluorophenyl)methyl]-3-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide.
What is the SMILES notation for 8-[(3,4-difluorophenyl)methyl]-3-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide?
The canonical SMILES for 8-[(3,4-difluorophenyl)methyl]-3-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide is COc1cc(-c2nnc3n2CCCC3(Cc2ccc(F)c(F)c2)C(N)=O)ccc1-c1cnc(C)o1.
What is the InChIKey of 8-[(3,4-difluorophenyl)methyl]-3-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide?
The InChIKey is WHFFUFGTQVHTKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F2N5O3/c1-14-29-13-21(35-14)17-6-5-16(11-20(17)34-2)22-30-31-24-25(23(28)33,8-3-9-32(22)24)12-15-4-7-18(26)19(27)10-15/h4-7,10-11,13H,3,8-9,12H2,1-2H3,(H2,28,33).
What are the key properties of 8-[(3,4-difluorophenyl)methyl]-3-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide?
8-[(3,4-difluorophenyl)methyl]-3-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide has a molecular weight of 479.49 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(3,4-difluorophenyl)methyl]-3-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide is sourced from PubChem (CID 66604091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).