2-[(1-tert-butylsulfonylcyclopropyl)methyl]-N-[(4-methylphenyl)methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide

C25H31N3O5S — CID 159614059

IUPAC2-[(1-tert-butylsulfonylcyclopropyl)methyl]-N-[(4-methylphenyl)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(C)(C)C)CC2)C3=O)cc1
InChIInChI=1S/C25H31N3O5S/c1-17-5-7-18(8-6-17)15-26-21(29)19-9-10-20-23(31)27(13-14-28(20)22(19)30)16-25(11-12-25)34(32,33)24(2,3)4/h5-10H,11-16H2,1-4H3,(H,26,29)
InChIKeyIUCZPROPFGRFHU-UHFFFAOYSA-N
MW485.61 g/mol
LogP2.29
Rot. Bonds6

About 2-[(1-tert-butylsulfonylcyclopropyl)methyl]-N-[(4-methylphenyl)methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide

2-[(1-tert-butylsulfonylcyclopropyl)methyl]-N-[(4-methylphenyl)methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide (PubChem CID 159614059) has the molecular formula C25H31N3O5S and a molecular weight of 485.61 g/mol. Its IUPAC name is 2-[(1-tert-butylsulfonylcyclopropyl)methyl]-N-[(4-methylphenyl)methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide.

Molecular Properties

Compound Name2-[(1-tert-butylsulfonylcyclopropyl)methyl]-N-[(4-methylphenyl)methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide
PubChem CID159614059
Molecular FormulaC25H31N3O5S
Molecular Weight485.61 g/mol
Exact Mass485.20
IUPAC Name2-[(1-tert-butylsulfonylcyclopropyl)methyl]-N-[(4-methylphenyl)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(C)(C)C)CC2)C3=O)cc1
InChIInChI=1S/C25H31N3O5S/c1-17-5-7-18(8-6-17)15-26-21(29)19-9-10-20-23(31)27(13-14-28(20)22(19)30)16-25(11-12-25)34(32,33)24(2,3)4/h5-10H,11-16H2,1-4H3,(H,26,29)
InChIKeyIUCZPROPFGRFHU-UHFFFAOYSA-N
XLogP2.29
TPSA105.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.61
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-tert-butylsulfonylcyclopropyl)methyl]-N-[(4-methylphenyl)methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide?
The IUPAC name of 2-[(1-tert-butylsulfonylcyclopropyl)methyl]-N-[(4-methylphenyl)methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide (CID 159614059) is 2-[(1-tert-butylsulfonylcyclopropyl)methyl]-N-[(4-methylphenyl)methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide.
What is the SMILES notation for 2-[(1-tert-butylsulfonylcyclopropyl)methyl]-N-[(4-methylphenyl)methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide?
The canonical SMILES for 2-[(1-tert-butylsulfonylcyclopropyl)methyl]-N-[(4-methylphenyl)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(C)(C)C)CC2)C3=O)cc1.
What is the InChIKey of 2-[(1-tert-butylsulfonylcyclopropyl)methyl]-N-[(4-methylphenyl)methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide?
The InChIKey is IUCZPROPFGRFHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O5S/c1-17-5-7-18(8-6-17)15-26-21(29)19-9-10-20-23(31)27(13-14-28(20)22(19)30)16-25(11-12-25)34(32,33)24(2,3)4/h5-10H,11-16H2,1-4H3,(H,26,29).
What are the key properties of 2-[(1-tert-butylsulfonylcyclopropyl)methyl]-N-[(4-methylphenyl)methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide?
2-[(1-tert-butylsulfonylcyclopropyl)methyl]-N-[(4-methylphenyl)methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide has a molecular weight of 485.61 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-tert-butylsulfonylcyclopropyl)methyl]-N-[(4-methylphenyl)methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide is sourced from PubChem (CID 159614059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).