N-[(4-cyanophenyl)methyl]-2-[[1-[1-(fluoromethyl)cyclopropyl]sulfonylcyclopropyl]methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide

C25H25FN4O5S — CID 153461401

IUPACN-[(4-cyanophenyl)methyl]-2-[[1-[1-(fluoromethyl)cyclopropyl]sulfonylcyclopropyl]methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide
SMILESN#Cc1ccc(CNC(=O)c2ccc3n(c2=O)CCN(CC2(S(=O)(=O)C4(CF)CC4)CC2)C3=O)cc1
InChIInChI=1S/C25H25FN4O5S/c26-15-24(7-8-24)36(34,35)25(9-10-25)16-29-11-12-30-20(23(29)33)6-5-19(22(30)32)21(31)28-14-18-3-1-17(13-27)2-4-18/h1-6H,7-12,14-16H2,(H,28,31)
InChIKeyINCORPPJLUWKKK-UHFFFAOYSA-N
MW512.56 g/mol
LogP1.56
Rot. Bonds8

About N-[(4-cyanophenyl)methyl]-2-[[1-[1-(fluoromethyl)cyclopropyl]sulfonylcyclopropyl]methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide

N-[(4-cyanophenyl)methyl]-2-[[1-[1-(fluoromethyl)cyclopropyl]sulfonylcyclopropyl]methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide (PubChem CID 153461401) has the molecular formula C25H25FN4O5S and a molecular weight of 512.56 g/mol. Its IUPAC name is N-[(4-cyanophenyl)methyl]-2-[[1-[1-(fluoromethyl)cyclopropyl]sulfonylcyclopropyl]methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide.

Molecular Properties

Compound NameN-[(4-cyanophenyl)methyl]-2-[[1-[1-(fluoromethyl)cyclopropyl]sulfonylcyclopropyl]methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide
PubChem CID153461401
Molecular FormulaC25H25FN4O5S
Molecular Weight512.56 g/mol
Exact Mass512.15
IUPAC NameN-[(4-cyanophenyl)methyl]-2-[[1-[1-(fluoromethyl)cyclopropyl]sulfonylcyclopropyl]methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide
SMILESN#Cc1ccc(CNC(=O)c2ccc3n(c2=O)CCN(CC2(S(=O)(=O)C4(CF)CC4)CC2)C3=O)cc1
InChIInChI=1S/C25H25FN4O5S/c26-15-24(7-8-24)36(34,35)25(9-10-25)16-29-11-12-30-20(23(29)33)6-5-19(22(30)32)21(31)28-14-18-3-1-17(13-27)2-4-18/h1-6H,7-12,14-16H2,(H,28,31)
InChIKeyINCORPPJLUWKKK-UHFFFAOYSA-N
XLogP1.56
TPSA129.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.56
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(4-cyanophenyl)methyl]-2-[[1-[1-(fluoromethyl)cyclopropyl]sulfonylcyclopropyl]methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(4-cyanophenyl)methyl]-2-[[1-[1-(fluoromethyl)cyclopropyl]sulfonylcyclopropyl]methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide?
The IUPAC name of N-[(4-cyanophenyl)methyl]-2-[[1-[1-(fluoromethyl)cyclopropyl]sulfonylcyclopropyl]methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide (CID 153461401) is N-[(4-cyanophenyl)methyl]-2-[[1-[1-(fluoromethyl)cyclopropyl]sulfonylcyclopropyl]methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide.
What is the SMILES notation for N-[(4-cyanophenyl)methyl]-2-[[1-[1-(fluoromethyl)cyclopropyl]sulfonylcyclopropyl]methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide?
The canonical SMILES for N-[(4-cyanophenyl)methyl]-2-[[1-[1-(fluoromethyl)cyclopropyl]sulfonylcyclopropyl]methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide is N#Cc1ccc(CNC(=O)c2ccc3n(c2=O)CCN(CC2(S(=O)(=O)C4(CF)CC4)CC2)C3=O)cc1.
What is the InChIKey of N-[(4-cyanophenyl)methyl]-2-[[1-[1-(fluoromethyl)cyclopropyl]sulfonylcyclopropyl]methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide?
The InChIKey is INCORPPJLUWKKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN4O5S/c26-15-24(7-8-24)36(34,35)25(9-10-25)16-29-11-12-30-20(23(29)33)6-5-19(22(30)32)21(31)28-14-18-3-1-17(13-27)2-4-18/h1-6H,7-12,14-16H2,(H,28,31).
What are the key properties of N-[(4-cyanophenyl)methyl]-2-[[1-[1-(fluoromethyl)cyclopropyl]sulfonylcyclopropyl]methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide?
N-[(4-cyanophenyl)methyl]-2-[[1-[1-(fluoromethyl)cyclopropyl]sulfonylcyclopropyl]methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide has a molecular weight of 512.56 g/mol, XLogP of 1.56, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyanophenyl)methyl]-2-[[1-[1-(fluoromethyl)cyclopropyl]sulfonylcyclopropyl]methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide is sourced from PubChem (CID 153461401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).