(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

C27H30N4O4 — CID 118632778

IUPAC(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
SMILESCC(C)N1CCn2c(CNC(=O)[C@H](N)c3ccccc3)cc(=O)c(OCc3ccccc3)c2C1=O
InChIInChI=1S/C27H30N4O4/c1-18(2)30-13-14-31-21(16-29-26(33)23(28)20-11-7-4-8-12-20)15-22(32)25(24(31)27(30)34)35-17-19-9-5-3-6-10-19/h3-12,15,18,23H,13-14,16-17,28H2,1-2H3,(H,29,33)/t23-/m1/s1
InChIKeyIZNLBNNYUFQZAG-HSZRJFAPSA-N
MW474.56 g/mol
LogP2.61
Rot. Bonds8

About (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

(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 (PubChem CID 118632778) has the molecular formula C27H30N4O4 and a molecular weight of 474.56 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID118632778
Molecular FormulaC27H30N4O4
Molecular Weight474.56 g/mol
Exact Mass474.23
IUPAC Name(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
SMILESCC(C)N1CCn2c(CNC(=O)[C@H](N)c3ccccc3)cc(=O)c(OCc3ccccc3)c2C1=O
InChIInChI=1S/C27H30N4O4/c1-18(2)30-13-14-31-21(16-29-26(33)23(28)20-11-7-4-8-12-20)15-22(32)25(24(31)27(30)34)35-17-19-9-5-3-6-10-19/h3-12,15,18,23H,13-14,16-17,28H2,1-2H3,(H,29,33)/t23-/m1/s1
InChIKeyIZNLBNNYUFQZAG-HSZRJFAPSA-N
XLogP2.61
TPSA106.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.56
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (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 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
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
N-[(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]benzenesulfonamide
CID 118624559
6-[[[2-(2-amino-5-fluoropyridine-3-carboximidoyl)-5-fluoropyrimidin-4-yl]amino]methyl]-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione
CID 144993865
N-[(9-methoxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]benzenesulfinamide
CID 144993912
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
tert-butyl 8-(hydroxymethyl)-4,6-dioxo-5-phenylmethoxy-3-propan-2-yl-2H-pyrido[2,1-f][1,2,4]triazine-1-carboxylate
CID 147144744
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
N-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]-3,3-dimethylbutanamide
CID 118631870
6-[(4-oxocyclohexyl)-phenylmethyl]-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione
CID 90271929
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
N-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]-4-methylbenzamide
CID 118631868

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CC(C)N1CCn2c(CNC(=O)[C@H](N)c3ccccc3)cc(=O)c(OCc3ccccc3)c2C1=O.
What is the InChIKey of (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?
The InChIKey is IZNLBNNYUFQZAG-HSZRJFAPSA-N. The full InChI is InChI=1S/C27H30N4O4/c1-18(2)30-13-14-31-21(16-29-26(33)23(28)20-11-7-4-8-12-20)15-22(32)25(24(31)27(30)34)35-17-19-9-5-3-6-10-19/h3-12,15,18,23H,13-14,16-17,28H2,1-2H3,(H,29,33)/t23-/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 474.56 g/mol, XLogP of 2.61, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 118632778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).