N-(3,4-dichlorophenyl)-2-[(4-methylphenyl)methyl]-3-oxo-5-(pyrrolidine-1-carbonyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide

C25H26Cl2N6O3 — CID 142587506

IUPACN-(3,4-dichlorophenyl)-2-[(4-methylphenyl)methyl]-3-oxo-5-(pyrrolidine-1-carbonyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide
SMILESCc1ccc(Cn2nc3n(c2=O)C(C(=O)N2CCCC2)CN(C(=O)Nc2ccc(Cl)c(Cl)c2)C3)cc1
InChIInChI=1S/C25H26Cl2N6O3/c1-16-4-6-17(7-5-16)13-32-25(36)33-21(23(34)30-10-2-3-11-30)14-31(15-22(33)29-32)24(35)28-18-8-9-19(26)20(27)12-18/h4-9,12,21H,2-3,10-11,13-15H2,1H3,(H,28,35)
InChIKeyJRUZSAQWUUGVPG-UHFFFAOYSA-N
MW529.43 g/mol
LogP3.92
Rot. Bonds4

About N-(3,4-dichlorophenyl)-2-[(4-methylphenyl)methyl]-3-oxo-5-(pyrrolidine-1-carbonyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide

N-(3,4-dichlorophenyl)-2-[(4-methylphenyl)methyl]-3-oxo-5-(pyrrolidine-1-carbonyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide (PubChem CID 142587506) has the molecular formula C25H26Cl2N6O3 and a molecular weight of 529.43 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-2-[(4-methylphenyl)methyl]-3-oxo-5-(pyrrolidine-1-carbonyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-2-[(4-methylphenyl)methyl]-3-oxo-5-(pyrrolidine-1-carbonyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide
PubChem CID142587506
Molecular FormulaC25H26Cl2N6O3
Molecular Weight529.43 g/mol
Exact Mass528.14
IUPAC NameN-(3,4-dichlorophenyl)-2-[(4-methylphenyl)methyl]-3-oxo-5-(pyrrolidine-1-carbonyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide
SMILESCc1ccc(Cn2nc3n(c2=O)C(C(=O)N2CCCC2)CN(C(=O)Nc2ccc(Cl)c(Cl)c2)C3)cc1
InChIInChI=1S/C25H26Cl2N6O3/c1-16-4-6-17(7-5-16)13-32-25(36)33-21(23(34)30-10-2-3-11-30)14-31(15-22(33)29-32)24(35)28-18-8-9-19(26)20(27)12-18/h4-9,12,21H,2-3,10-11,13-15H2,1H3,(H,28,35)
InChIKeyJRUZSAQWUUGVPG-UHFFFAOYSA-N
XLogP3.92
TPSA92.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500529.43
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(3,4-dichlorophenyl)-2-[(4-methylphenyl)methyl]-3-oxo-5-(pyrrolidine-1-carbonyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-2-[(4-methylphenyl)methyl]-3-oxo-5-(pyrrolidine-1-carbonyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide?
The IUPAC name of N-(3,4-dichlorophenyl)-2-[(4-methylphenyl)methyl]-3-oxo-5-(pyrrolidine-1-carbonyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide (CID 142587506) is N-(3,4-dichlorophenyl)-2-[(4-methylphenyl)methyl]-3-oxo-5-(pyrrolidine-1-carbonyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-2-[(4-methylphenyl)methyl]-3-oxo-5-(pyrrolidine-1-carbonyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-2-[(4-methylphenyl)methyl]-3-oxo-5-(pyrrolidine-1-carbonyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide is Cc1ccc(Cn2nc3n(c2=O)C(C(=O)N2CCCC2)CN(C(=O)Nc2ccc(Cl)c(Cl)c2)C3)cc1.
What is the InChIKey of N-(3,4-dichlorophenyl)-2-[(4-methylphenyl)methyl]-3-oxo-5-(pyrrolidine-1-carbonyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide?
The InChIKey is JRUZSAQWUUGVPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26Cl2N6O3/c1-16-4-6-17(7-5-16)13-32-25(36)33-21(23(34)30-10-2-3-11-30)14-31(15-22(33)29-32)24(35)28-18-8-9-19(26)20(27)12-18/h4-9,12,21H,2-3,10-11,13-15H2,1H3,(H,28,35).
What are the key properties of N-(3,4-dichlorophenyl)-2-[(4-methylphenyl)methyl]-3-oxo-5-(pyrrolidine-1-carbonyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide?
N-(3,4-dichlorophenyl)-2-[(4-methylphenyl)methyl]-3-oxo-5-(pyrrolidine-1-carbonyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide has a molecular weight of 529.43 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-2-[(4-methylphenyl)methyl]-3-oxo-5-(pyrrolidine-1-carbonyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide is sourced from PubChem (CID 142587506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).