N-[(4-chlorophenyl)methyl]-1,6-dioxo-2-[[1-(2-oxopyrrolidin-1-yl)cyclopropyl]methyl]-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide

C24H25ClN4O4 — CID 147360433

IUPACN-[(4-chlorophenyl)methyl]-1,6-dioxo-2-[[1-(2-oxopyrrolidin-1-yl)cyclopropyl]methyl]-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)c1ccc2n(c1=O)CCN(CC1(N3CCCC3=O)CC1)C2=O
InChIInChI=1S/C24H25ClN4O4/c25-17-5-3-16(4-6-17)14-26-21(31)18-7-8-19-23(33)27(12-13-28(19)22(18)32)15-24(9-10-24)29-11-1-2-20(29)30/h3-8H,1-2,9-15H2,(H,26,31)
InChIKeyDHDNFOUACRXYLE-UHFFFAOYSA-N
MW468.94 g/mol
LogP2.04
Rot. Bonds6

About N-[(4-chlorophenyl)methyl]-1,6-dioxo-2-[[1-(2-oxopyrrolidin-1-yl)cyclopropyl]methyl]-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide

N-[(4-chlorophenyl)methyl]-1,6-dioxo-2-[[1-(2-oxopyrrolidin-1-yl)cyclopropyl]methyl]-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide (PubChem CID 147360433) has the molecular formula C24H25ClN4O4 and a molecular weight of 468.94 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-1,6-dioxo-2-[[1-(2-oxopyrrolidin-1-yl)cyclopropyl]methyl]-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-1,6-dioxo-2-[[1-(2-oxopyrrolidin-1-yl)cyclopropyl]methyl]-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide
PubChem CID147360433
Molecular FormulaC24H25ClN4O4
Molecular Weight468.94 g/mol
Exact Mass468.16
IUPAC NameN-[(4-chlorophenyl)methyl]-1,6-dioxo-2-[[1-(2-oxopyrrolidin-1-yl)cyclopropyl]methyl]-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)c1ccc2n(c1=O)CCN(CC1(N3CCCC3=O)CC1)C2=O
InChIInChI=1S/C24H25ClN4O4/c25-17-5-3-16(4-6-17)14-26-21(31)18-7-8-19-23(33)27(12-13-28(19)22(18)32)15-24(9-10-24)29-11-1-2-20(29)30/h3-8H,1-2,9-15H2,(H,26,31)
InChIKeyDHDNFOUACRXYLE-UHFFFAOYSA-N
XLogP2.04
TPSA91.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.94
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-1,6-dioxo-2-[[1-(2-oxopyrrolidin-1-yl)cyclopropyl]methyl]-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-1,6-dioxo-2-[[1-(2-oxopyrrolidin-1-yl)cyclopropyl]methyl]-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide (CID 147360433) is N-[(4-chlorophenyl)methyl]-1,6-dioxo-2-[[1-(2-oxopyrrolidin-1-yl)cyclopropyl]methyl]-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-1,6-dioxo-2-[[1-(2-oxopyrrolidin-1-yl)cyclopropyl]methyl]-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-1,6-dioxo-2-[[1-(2-oxopyrrolidin-1-yl)cyclopropyl]methyl]-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide is O=C(NCc1ccc(Cl)cc1)c1ccc2n(c1=O)CCN(CC1(N3CCCC3=O)CC1)C2=O.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-1,6-dioxo-2-[[1-(2-oxopyrrolidin-1-yl)cyclopropyl]methyl]-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide?
The InChIKey is DHDNFOUACRXYLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN4O4/c25-17-5-3-16(4-6-17)14-26-21(31)18-7-8-19-23(33)27(12-13-28(19)22(18)32)15-24(9-10-24)29-11-1-2-20(29)30/h3-8H,1-2,9-15H2,(H,26,31).
What are the key properties of N-[(4-chlorophenyl)methyl]-1,6-dioxo-2-[[1-(2-oxopyrrolidin-1-yl)cyclopropyl]methyl]-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide?
N-[(4-chlorophenyl)methyl]-1,6-dioxo-2-[[1-(2-oxopyrrolidin-1-yl)cyclopropyl]methyl]-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide has a molecular weight of 468.94 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-1,6-dioxo-2-[[1-(2-oxopyrrolidin-1-yl)cyclopropyl]methyl]-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide is sourced from PubChem (CID 147360433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).