N-[(3-chloro-4-methylphenyl)methyl]-2-[[1-[(1S)-2,2-difluorocyclopropyl]sulfonylcyclopropyl]methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide

C24H24ClF2N3O5S — CID 160951589

IUPACN-[(3-chloro-4-methylphenyl)methyl]-2-[[1-[(1S)-2,2-difluorocyclopropyl]sulfonylcyclopropyl]methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide
SMILESCc1ccc(CNC(=O)c2ccc3n(c2=O)CCN(CC2(S(=O)(=O)[C@H]4CC4(F)F)CC2)C3=O)cc1Cl
InChIInChI=1S/C24H24ClF2N3O5S/c1-14-2-3-15(10-17(14)25)12-28-20(31)16-4-5-18-22(33)29(8-9-30(18)21(16)32)13-23(6-7-23)36(34,35)19-11-24(19,26)27/h2-5,10,19H,6-9,11-13H2,1H3,(H,28,31)/t19-/m0/s1
InChIKeyFMCQMWTVVPKOII-IBGZPJMESA-N
MW539.99 g/mol
LogP2.55
Rot. Bonds7

About N-[(3-chloro-4-methylphenyl)methyl]-2-[[1-[(1S)-2,2-difluorocyclopropyl]sulfonylcyclopropyl]methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide

N-[(3-chloro-4-methylphenyl)methyl]-2-[[1-[(1S)-2,2-difluorocyclopropyl]sulfonylcyclopropyl]methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide (PubChem CID 160951589) has the molecular formula C24H24ClF2N3O5S and a molecular weight of 539.99 g/mol. Its IUPAC name is N-[(3-chloro-4-methylphenyl)methyl]-2-[[1-[(1S)-2,2-difluorocyclopropyl]sulfonylcyclopropyl]methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide.

Molecular Properties

Compound NameN-[(3-chloro-4-methylphenyl)methyl]-2-[[1-[(1S)-2,2-difluorocyclopropyl]sulfonylcyclopropyl]methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide
PubChem CID160951589
Molecular FormulaC24H24ClF2N3O5S
Molecular Weight539.99 g/mol
Exact Mass539.11
IUPAC NameN-[(3-chloro-4-methylphenyl)methyl]-2-[[1-[(1S)-2,2-difluorocyclopropyl]sulfonylcyclopropyl]methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide
SMILESCc1ccc(CNC(=O)c2ccc3n(c2=O)CCN(CC2(S(=O)(=O)[C@H]4CC4(F)F)CC2)C3=O)cc1Cl
InChIInChI=1S/C24H24ClF2N3O5S/c1-14-2-3-15(10-17(14)25)12-28-20(31)16-4-5-18-22(33)29(8-9-30(18)21(16)32)13-23(6-7-23)36(34,35)19-11-24(19,26)27/h2-5,10,19H,6-9,11-13H2,1H3,(H,28,31)/t19-/m0/s1
InChIKeyFMCQMWTVVPKOII-IBGZPJMESA-N
XLogP2.55
TPSA105.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500539.99
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(1-tert-butylsulfonylcyclopropyl)methyl]-N-[(4-methylphenyl)methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide
CID 159614059
2-[[1-[(2R)-4-hydroxybutan-2-yl]sulfonylcyclopropyl]methyl]-N-[(4-methylphenyl)methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide
CID 158001123
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
1-[[7-[(4-chlorophenyl)methylcarbamoyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl]methyl]cyclopropane-1-carboxylic acid
CID 146441940
ethyl 1-[[7-[(4-chlorophenyl)methylcarbamoyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl]methyl]cyclopropane-1-carboxylate
CID 153461526
2-[(1-methoxycyclopropyl)methyl]-N-[(4-methylphenyl)methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide
CID 157161218
2-(2-cyclopropylsulfonylethyl)-N-[(4-methylphenyl)methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide
CID 159219345
N-[(4-cyanophenyl)methyl]-9-methyl-2-[(1-methylsulfonylcyclopropyl)methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide
CID 146441876
2-[2-[acetyl(methyl)amino]ethyl]-N-[(4-chlorophenyl)methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide
CID 153461477
2-[[1-(1-amino-2-methylpropan-2-yl)sulfonylcyclopropyl]methyl]-N-[(4-methylphenyl)methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide;2-[[1-(1-hydroxy-2-methylpropan-2-yl)sulfonylcyclopropyl]methyl]-N-[(4-methylphenyl)methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide;bis(2-[[1-(1-hydroxy-2-methylpropan-2-yl)sulfonylcyclopropyl]methyl]-N-[(6-methyl-3-pyridinyl)methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide);bis(N-[(4-methylphenyl)methyl]-2-[[1-[2-(1,2,4-oxadiazol-5-yl)propan-2-ylsulfonyl]cyclopropyl]methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide)
CID 158542352
2,2-dimethylpropyl 3-[1-[(7-acetyl-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)methyl]cyclopropyl]sulfonylpyrrolidine-1-carboxylate
CID 167349958
2-[[1-[(1-cyanocyclopropyl)methylsulfonyl]cyclopropyl]methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxylic acid
CID 146441925

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-methylphenyl)methyl]-2-[[1-[(1S)-2,2-difluorocyclopropyl]sulfonylcyclopropyl]methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide?
The IUPAC name of N-[(3-chloro-4-methylphenyl)methyl]-2-[[1-[(1S)-2,2-difluorocyclopropyl]sulfonylcyclopropyl]methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide (CID 160951589) is N-[(3-chloro-4-methylphenyl)methyl]-2-[[1-[(1S)-2,2-difluorocyclopropyl]sulfonylcyclopropyl]methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide.
What is the SMILES notation for N-[(3-chloro-4-methylphenyl)methyl]-2-[[1-[(1S)-2,2-difluorocyclopropyl]sulfonylcyclopropyl]methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide?
The canonical SMILES for N-[(3-chloro-4-methylphenyl)methyl]-2-[[1-[(1S)-2,2-difluorocyclopropyl]sulfonylcyclopropyl]methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide is Cc1ccc(CNC(=O)c2ccc3n(c2=O)CCN(CC2(S(=O)(=O)[C@H]4CC4(F)F)CC2)C3=O)cc1Cl.
What is the InChIKey of N-[(3-chloro-4-methylphenyl)methyl]-2-[[1-[(1S)-2,2-difluorocyclopropyl]sulfonylcyclopropyl]methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide?
The InChIKey is FMCQMWTVVPKOII-IBGZPJMESA-N. The full InChI is InChI=1S/C24H24ClF2N3O5S/c1-14-2-3-15(10-17(14)25)12-28-20(31)16-4-5-18-22(33)29(8-9-30(18)21(16)32)13-23(6-7-23)36(34,35)19-11-24(19,26)27/h2-5,10,19H,6-9,11-13H2,1H3,(H,28,31)/t19-/m0/s1.
What are the key properties of N-[(3-chloro-4-methylphenyl)methyl]-2-[[1-[(1S)-2,2-difluorocyclopropyl]sulfonylcyclopropyl]methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide?
N-[(3-chloro-4-methylphenyl)methyl]-2-[[1-[(1S)-2,2-difluorocyclopropyl]sulfonylcyclopropyl]methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide has a molecular weight of 539.99 g/mol, XLogP of 2.55, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-methylphenyl)methyl]-2-[[1-[(1S)-2,2-difluorocyclopropyl]sulfonylcyclopropyl]methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide is sourced from PubChem (CID 160951589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).