[1-[[7-[(4-chlorophenyl)methylcarbamoyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl]methyl]cyclopropyl] N,N-dimethylcarbamate

C23H25ClN4O5 — CID 146442146

IUPAC[1-[[7-[(4-chlorophenyl)methylcarbamoyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl]methyl]cyclopropyl] N,N-dimethylcarbamate
SMILESCN(C)C(=O)OC1(CN2CCn3c(ccc(C(=O)NCc4ccc(Cl)cc4)c3=O)C2=O)CC1
InChIInChI=1S/C23H25ClN4O5/c1-26(2)22(32)33-23(9-10-23)14-27-11-12-28-18(21(27)31)8-7-17(20(28)30)19(29)25-13-15-3-5-16(24)6-4-15/h3-8H,9-14H2,1-2H3,(H,25,29)
InChIKeyPJCANDVHRQJVHX-UHFFFAOYSA-N
MW472.93 g/mol
LogP2.12
Rot. Bonds6

About [1-[[7-[(4-chlorophenyl)methylcarbamoyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl]methyl]cyclopropyl] N,N-dimethylcarbamate

[1-[[7-[(4-chlorophenyl)methylcarbamoyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl]methyl]cyclopropyl] N,N-dimethylcarbamate (PubChem CID 146442146) has the molecular formula C23H25ClN4O5 and a molecular weight of 472.93 g/mol. Its IUPAC name is [1-[[7-[(4-chlorophenyl)methylcarbamoyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl]methyl]cyclopropyl] N,N-dimethylcarbamate.

Molecular Properties

Compound Name[1-[[7-[(4-chlorophenyl)methylcarbamoyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl]methyl]cyclopropyl] N,N-dimethylcarbamate
PubChem CID146442146
Molecular FormulaC23H25ClN4O5
Molecular Weight472.93 g/mol
Exact Mass472.15
IUPAC Name[1-[[7-[(4-chlorophenyl)methylcarbamoyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl]methyl]cyclopropyl] N,N-dimethylcarbamate
SMILESCN(C)C(=O)OC1(CN2CCn3c(ccc(C(=O)NCc4ccc(Cl)cc4)c3=O)C2=O)CC1
InChIInChI=1S/C23H25ClN4O5/c1-26(2)22(32)33-23(9-10-23)14-27-11-12-28-18(21(27)31)8-7-17(20(28)30)19(29)25-13-15-3-5-16(24)6-4-15/h3-8H,9-14H2,1-2H3,(H,25,29)
InChIKeyPJCANDVHRQJVHX-UHFFFAOYSA-N
XLogP2.12
TPSA100.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.93
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [1-[[7-[(4-chlorophenyl)methylcarbamoyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl]methyl]cyclopropyl] N,N-dimethylcarbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [1-[[7-[(4-chlorophenyl)methylcarbamoyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl]methyl]cyclopropyl] N,N-dimethylcarbamate?
The IUPAC name of [1-[[7-[(4-chlorophenyl)methylcarbamoyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl]methyl]cyclopropyl] N,N-dimethylcarbamate (CID 146442146) is [1-[[7-[(4-chlorophenyl)methylcarbamoyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl]methyl]cyclopropyl] N,N-dimethylcarbamate.
What is the SMILES notation for [1-[[7-[(4-chlorophenyl)methylcarbamoyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl]methyl]cyclopropyl] N,N-dimethylcarbamate?
The canonical SMILES for [1-[[7-[(4-chlorophenyl)methylcarbamoyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl]methyl]cyclopropyl] N,N-dimethylcarbamate is CN(C)C(=O)OC1(CN2CCn3c(ccc(C(=O)NCc4ccc(Cl)cc4)c3=O)C2=O)CC1.
What is the InChIKey of [1-[[7-[(4-chlorophenyl)methylcarbamoyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl]methyl]cyclopropyl] N,N-dimethylcarbamate?
The InChIKey is PJCANDVHRQJVHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN4O5/c1-26(2)22(32)33-23(9-10-23)14-27-11-12-28-18(21(27)31)8-7-17(20(28)30)19(29)25-13-15-3-5-16(24)6-4-15/h3-8H,9-14H2,1-2H3,(H,25,29).
What are the key properties of [1-[[7-[(4-chlorophenyl)methylcarbamoyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl]methyl]cyclopropyl] N,N-dimethylcarbamate?
[1-[[7-[(4-chlorophenyl)methylcarbamoyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl]methyl]cyclopropyl] N,N-dimethylcarbamate has a molecular weight of 472.93 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[7-[(4-chlorophenyl)methylcarbamoyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl]methyl]cyclopropyl] N,N-dimethylcarbamate is sourced from PubChem (CID 146442146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).