tert-butyl N-[2-[7-[(4-chlorophenyl)methylcarbamoyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl]ethyl]-N-methylcarbamate

C24H29ClN4O5 — CID 153096014

IUPACtert-butyl N-[2-[7-[(4-chlorophenyl)methylcarbamoyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl]ethyl]-N-methylcarbamate
SMILESCN(CCN1CCn2c(ccc(C(=O)NCc3ccc(Cl)cc3)c2=O)C1=O)C(=O)OC(C)(C)C
InChIInChI=1S/C24H29ClN4O5/c1-24(2,3)34-23(33)27(4)11-12-28-13-14-29-19(22(28)32)10-9-18(21(29)31)20(30)26-15-16-5-7-17(25)8-6-16/h5-10H,11-15H2,1-4H3,(H,26,30)
InChIKeyVQCWHSOMKWUEPS-UHFFFAOYSA-N
MW488.97 g/mol
LogP2.75
Rot. Bonds6

About tert-butyl N-[2-[7-[(4-chlorophenyl)methylcarbamoyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl]ethyl]-N-methylcarbamate

tert-butyl N-[2-[7-[(4-chlorophenyl)methylcarbamoyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl]ethyl]-N-methylcarbamate (PubChem CID 153096014) has the molecular formula C24H29ClN4O5 and a molecular weight of 488.97 g/mol. Its IUPAC name is tert-butyl N-[2-[7-[(4-chlorophenyl)methylcarbamoyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl]ethyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[7-[(4-chlorophenyl)methylcarbamoyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl]ethyl]-N-methylcarbamate
PubChem CID153096014
Molecular FormulaC24H29ClN4O5
Molecular Weight488.97 g/mol
Exact Mass488.18
IUPAC Nametert-butyl N-[2-[7-[(4-chlorophenyl)methylcarbamoyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl]ethyl]-N-methylcarbamate
SMILESCN(CCN1CCn2c(ccc(C(=O)NCc3ccc(Cl)cc3)c2=O)C1=O)C(=O)OC(C)(C)C
InChIInChI=1S/C24H29ClN4O5/c1-24(2,3)34-23(33)27(4)11-12-28-13-14-29-19(22(28)32)10-9-18(21(29)31)20(30)26-15-16-5-7-17(25)8-6-16/h5-10H,11-15H2,1-4H3,(H,26,30)
InChIKeyVQCWHSOMKWUEPS-UHFFFAOYSA-N
XLogP2.75
TPSA100.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.97
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[7-[(4-chlorophenyl)methylcarbamoyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl]ethyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[2-[7-[(4-chlorophenyl)methylcarbamoyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl]ethyl]-N-methylcarbamate (CID 153096014) is tert-butyl N-[2-[7-[(4-chlorophenyl)methylcarbamoyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl]ethyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[2-[7-[(4-chlorophenyl)methylcarbamoyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl]ethyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[2-[7-[(4-chlorophenyl)methylcarbamoyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl]ethyl]-N-methylcarbamate is CN(CCN1CCn2c(ccc(C(=O)NCc3ccc(Cl)cc3)c2=O)C1=O)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-[7-[(4-chlorophenyl)methylcarbamoyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl]ethyl]-N-methylcarbamate?
The InChIKey is VQCWHSOMKWUEPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29ClN4O5/c1-24(2,3)34-23(33)27(4)11-12-28-13-14-29-19(22(28)32)10-9-18(21(29)31)20(30)26-15-16-5-7-17(25)8-6-16/h5-10H,11-15H2,1-4H3,(H,26,30).
What are the key properties of tert-butyl N-[2-[7-[(4-chlorophenyl)methylcarbamoyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl]ethyl]-N-methylcarbamate?
tert-butyl N-[2-[7-[(4-chlorophenyl)methylcarbamoyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl]ethyl]-N-methylcarbamate has a molecular weight of 488.97 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[7-[(4-chlorophenyl)methylcarbamoyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl]ethyl]-N-methylcarbamate is sourced from PubChem (CID 153096014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).