N-[[4-[3-[(2,3-difluorophenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]phenyl]methyl]acetamide

C22H21F2N5O2 — CID 139015590

IUPACN-[[4-[3-[(2,3-difluorophenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]phenyl]methyl]acetamide
SMILESCC(=O)NCc1ccc(C(=O)N2CCn3c(Cc4cccc(F)c4F)nnc3C2)cc1
InChIInChI=1S/C22H21F2N5O2/c1-14(30)25-12-15-5-7-16(8-6-15)22(31)28-9-10-29-19(26-27-20(29)13-28)11-17-3-2-4-18(23)21(17)24/h2-8H,9-13H2,1H3,(H,25,30)
InChIKeyOSDDGWAIZXNGLI-UHFFFAOYSA-N
MW425.44 g/mol
LogP2.44
Rot. Bonds5

About N-[[4-[3-[(2,3-difluorophenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]phenyl]methyl]acetamide

N-[[4-[3-[(2,3-difluorophenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]phenyl]methyl]acetamide (PubChem CID 139015590) has the molecular formula C22H21F2N5O2 and a molecular weight of 425.44 g/mol. Its IUPAC name is N-[[4-[3-[(2,3-difluorophenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]phenyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[4-[3-[(2,3-difluorophenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]phenyl]methyl]acetamide
PubChem CID139015590
Molecular FormulaC22H21F2N5O2
Molecular Weight425.44 g/mol
Exact Mass425.17
IUPAC NameN-[[4-[3-[(2,3-difluorophenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]phenyl]methyl]acetamide
SMILESCC(=O)NCc1ccc(C(=O)N2CCn3c(Cc4cccc(F)c4F)nnc3C2)cc1
InChIInChI=1S/C22H21F2N5O2/c1-14(30)25-12-15-5-7-16(8-6-15)22(31)28-9-10-29-19(26-27-20(29)13-28)11-17-3-2-4-18(23)21(17)24/h2-8H,9-13H2,1H3,(H,25,30)
InChIKeyOSDDGWAIZXNGLI-UHFFFAOYSA-N
XLogP2.44
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.44
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[4-[3-[(2,3-difluorophenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]phenyl]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

Related Compounds

1-[3-[(2-fluorophenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]prop-2-en-1-one
CID 166407055
N-[[4-[4-(2-fluorobenzoyl)-1,4-diazepane-1-carbonyl]phenyl]methyl]acetamide
CID 78850069
1-[3-[(2,6-difluorophenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-2-methylpropan-1-one
CID 136554030
1-[3-[(2,3-difluorophenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-2-imidazol-1-yl-4-methylpentan-1-one
CID 139015596
N-[[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]methyl]acetamide
CID 18108201
N-[4-[7-(4-fluorobenzoyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]phenyl]acetamide
CID 134803473
N-[[4-[(3S,4R)-3,4-dihydroxypyrrolidine-1-carbonyl]phenyl]methyl]acetamide
CID 79404212
2-(2-fluorophenyl)-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]acetamide
CID 18159675
7-benzoyl-N-propyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxamide
CID 71447982
N-[[4-(1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)phenyl]methyl]acetamide
CID 18138735
N-[[4-(4-hydroxypiperidine-1-carbonyl)phenyl]methyl]acetamide
CID 43393426
N-[[4-(3,5-dioxopiperazine-1-carbonyl)phenyl]methyl]acetamide
CID 66084325

Frequently Asked Questions

What is the IUPAC name of N-[[4-[3-[(2,3-difluorophenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]phenyl]methyl]acetamide?
The IUPAC name of N-[[4-[3-[(2,3-difluorophenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]phenyl]methyl]acetamide (CID 139015590) is N-[[4-[3-[(2,3-difluorophenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]phenyl]methyl]acetamide.
What is the SMILES notation for N-[[4-[3-[(2,3-difluorophenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]phenyl]methyl]acetamide?
The canonical SMILES for N-[[4-[3-[(2,3-difluorophenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]phenyl]methyl]acetamide is CC(=O)NCc1ccc(C(=O)N2CCn3c(Cc4cccc(F)c4F)nnc3C2)cc1.
What is the InChIKey of N-[[4-[3-[(2,3-difluorophenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]phenyl]methyl]acetamide?
The InChIKey is OSDDGWAIZXNGLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F2N5O2/c1-14(30)25-12-15-5-7-16(8-6-15)22(31)28-9-10-29-19(26-27-20(29)13-28)11-17-3-2-4-18(23)21(17)24/h2-8H,9-13H2,1H3,(H,25,30).
What are the key properties of N-[[4-[3-[(2,3-difluorophenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]phenyl]methyl]acetamide?
N-[[4-[3-[(2,3-difluorophenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]phenyl]methyl]acetamide has a molecular weight of 425.44 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[3-[(2,3-difluorophenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]phenyl]methyl]acetamide is sourced from PubChem (CID 139015590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).