3-(3-chlorophenyl)-N-[(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]propanamide

C28H30ClN3O4 — CID 144993810

IUPAC3-(3-chlorophenyl)-N-[(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]propanamide
SMILESCC(C)N1CCn2c(CNC(=O)CCc3cccc(Cl)c3)cc(=O)c(OCc3ccccc3)c2C1=O
InChIInChI=1S/C28H30ClN3O4/c1-19(2)31-13-14-32-23(17-30-25(34)12-11-20-9-6-10-22(29)15-20)16-24(33)27(26(32)28(31)35)36-18-21-7-4-3-5-8-21/h3-10,15-16,19H,11-14,17-18H2,1-2H3,(H,30,34)
InChIKeyYDOVJJJIONKEFK-UHFFFAOYSA-N
MW508.02 g/mol
LogP4.19
Rot. Bonds9

About 3-(3-chlorophenyl)-N-[(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]propanamide

3-(3-chlorophenyl)-N-[(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]propanamide (PubChem CID 144993810) has the molecular formula C28H30ClN3O4 and a molecular weight of 508.02 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-N-[(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(3-chlorophenyl)-N-[(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]propanamide
PubChem CID144993810
Molecular FormulaC28H30ClN3O4
Molecular Weight508.02 g/mol
Exact Mass507.19
IUPAC Name3-(3-chlorophenyl)-N-[(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]propanamide
SMILESCC(C)N1CCn2c(CNC(=O)CCc3cccc(Cl)c3)cc(=O)c(OCc3ccccc3)c2C1=O
InChIInChI=1S/C28H30ClN3O4/c1-19(2)31-13-14-32-23(17-30-25(34)12-11-20-9-6-10-22(29)15-20)16-24(33)27(26(32)28(31)35)36-18-21-7-4-3-5-8-21/h3-10,15-16,19H,11-14,17-18H2,1-2H3,(H,30,34)
InChIKeyYDOVJJJIONKEFK-UHFFFAOYSA-N
XLogP4.19
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.02
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(3-chlorophenyl)-N-[(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]propanamide with MolForge

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Related Compounds

2-amino-N-[(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]butanamide
CID 118632777
(2R)-2-amino-N-[(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]-2-phenylacetamide
CID 118632778
5-[4-[[6-[(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methylamino]-6-oxohexyl]amino]-5-fluoropyrimidin-2-yl]-2-iminopyridine-1-carboxamide
CID 144993799
N-[(9-methoxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]benzenesulfinamide
CID 144993912
benzyl 2-[3-(3-chlorophenyl)propanoylamino]acetate
CID 51280706
6-(aminomethyl)-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione;3-(4-chloro-5-fluoropyrimidin-2-yl)-5-fluoro-2H-pyrazolo[3,4-b]pyridine;6-[[[5-fluoro-2-(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)pyrimidin-4-yl]amino]methyl]-9-hydroxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione;6-[[[5-fluoro-2-(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)pyrimidin-4-yl]amino]methyl]-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione
CID 157136868
3-(3-chlorophenyl)-N-(2-phenylethyl)propanamide
CID 1407340
2,6-dichloro-N-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]benzenesulfonamide
CID 118624405
6-(aminomethyl)-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione;2-cyclopropyl-N-[(1S)-3-[(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methylamino]-3-oxo-1-phenylpropyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-cyclopropyl-N-[(1S)-3-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methylamino]-3-oxo-1-phenylpropyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;(3S)-3-[(5-cyclopropyl-2H-pyrazolo[3,4-b]pyrazine-3-carbonyl)amino]-3-phenylpropanoic acid
CID 160554567
3-(3-chlorophenyl)-N-(3-hydroxy-3-phenylpropyl)propanamide
CID 111472067
3-(3-chlorophenyl)-N-[(2S)-2-methyl-3-(4-methylpiperazin-1-yl)propyl]propanamide
CID 95331476
methyl 2-[(3-chlorophenyl)methyl]-1,8-dioxo-9-phenylmethoxy-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxylate
CID 23077483

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-N-[(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]propanamide?
The IUPAC name of 3-(3-chlorophenyl)-N-[(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]propanamide (CID 144993810) is 3-(3-chlorophenyl)-N-[(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]propanamide.
What is the SMILES notation for 3-(3-chlorophenyl)-N-[(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]propanamide?
The canonical SMILES for 3-(3-chlorophenyl)-N-[(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]propanamide is CC(C)N1CCn2c(CNC(=O)CCc3cccc(Cl)c3)cc(=O)c(OCc3ccccc3)c2C1=O.
What is the InChIKey of 3-(3-chlorophenyl)-N-[(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]propanamide?
The InChIKey is YDOVJJJIONKEFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30ClN3O4/c1-19(2)31-13-14-32-23(17-30-25(34)12-11-20-9-6-10-22(29)15-20)16-24(33)27(26(32)28(31)35)36-18-21-7-4-3-5-8-21/h3-10,15-16,19H,11-14,17-18H2,1-2H3,(H,30,34).
What are the key properties of 3-(3-chlorophenyl)-N-[(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]propanamide?
3-(3-chlorophenyl)-N-[(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]propanamide has a molecular weight of 508.02 g/mol, XLogP of 4.19, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-N-[(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]propanamide is sourced from PubChem (CID 144993810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).