N-[1-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methylamino]-1-oxobutan-2-yl]-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide

C23H27N7O6 — CID 118621083

IUPACN-[1-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methylamino]-1-oxobutan-2-yl]-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
SMILESCCC(NC(=O)c1cccn2c(=O)[nH]nc12)C(=O)NCc1cc(=O)c(O)c2n1CCN(C(C)C)C2=O
InChIInChI=1S/C23H27N7O6/c1-4-15(25-20(33)14-6-5-7-30-19(14)26-27-23(30)36)21(34)24-11-13-10-16(31)18(32)17-22(35)28(12(2)3)8-9-29(13)17/h5-7,10,12,15,32H,4,8-9,11H2,1-3H3,(H,24,34)(H,25,33)(H,27,36)
InChIKeyJUIKTXDJABKJNJ-UHFFFAOYSA-N
MW497.51 g/mol
LogP-0.42
Rot. Bonds7

About N-[1-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methylamino]-1-oxobutan-2-yl]-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide

N-[1-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methylamino]-1-oxobutan-2-yl]-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide (PubChem CID 118621083) has the molecular formula C23H27N7O6 and a molecular weight of 497.51 g/mol. Its IUPAC name is N-[1-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methylamino]-1-oxobutan-2-yl]-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide.

Molecular Properties

Compound NameN-[1-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methylamino]-1-oxobutan-2-yl]-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
PubChem CID118621083
Molecular FormulaC23H27N7O6
Molecular Weight497.51 g/mol
Exact Mass497.20
IUPAC NameN-[1-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methylamino]-1-oxobutan-2-yl]-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
SMILESCCC(NC(=O)c1cccn2c(=O)[nH]nc12)C(=O)NCc1cc(=O)c(O)c2n1CCN(C(C)C)C2=O
InChIInChI=1S/C23H27N7O6/c1-4-15(25-20(33)14-6-5-7-30-19(14)26-27-23(30)36)21(34)24-11-13-10-16(31)18(32)17-22(35)28(12(2)3)8-9-29(13)17/h5-7,10,12,15,32H,4,8-9,11H2,1-3H3,(H,24,34)(H,25,33)(H,27,36)
InChIKeyJUIKTXDJABKJNJ-UHFFFAOYSA-N
XLogP-0.42
TPSA170.90 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.51
LogP ≤ 5-0.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze N-[1-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methylamino]-1-oxobutan-2-yl]-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide with MolForge

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Related Compounds

N-[1-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methylcarbamoyl]cyclohexyl]-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
CID 118621071
(9-butoxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl 3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate
CID 118638400
N-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]-4-methylbenzamide
CID 118631868
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
N-[6-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methylamino]-6-oxohexyl]-2H-pyrazolo[3,4-b]pyridine-3-carboxamide
CID 118621093
N-[1-(furan-2-yl)-2-(2-methylpropoxy)ethyl]-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
CID 166206458
6-[[2-[(4-chloro-1H-pyrazolo[4,3-c]pyridin-6-yl)amino]ethylamino]methyl]-9-hydroxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione
CID 118621080
N-[(5-methoxy-2-pyridinyl)methyl]-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
CID 136536829
N-[1-(2-chlorophenyl)-5-methylpyrazol-3-yl]-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
CID 136521961
N-[(9-methoxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]benzenesulfinamide
CID 144993912
2-aminoethyl 3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate
CID 118632770
N-[(2S)-1-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methylamino]-1-oxobutan-2-yl]benzamide
CID 154852962

Frequently Asked Questions

What is the IUPAC name of N-[1-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methylamino]-1-oxobutan-2-yl]-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide?
The IUPAC name of N-[1-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methylamino]-1-oxobutan-2-yl]-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide (CID 118621083) is N-[1-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methylamino]-1-oxobutan-2-yl]-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide.
What is the SMILES notation for N-[1-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methylamino]-1-oxobutan-2-yl]-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide?
The canonical SMILES for N-[1-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methylamino]-1-oxobutan-2-yl]-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide is CCC(NC(=O)c1cccn2c(=O)[nH]nc12)C(=O)NCc1cc(=O)c(O)c2n1CCN(C(C)C)C2=O.
What is the InChIKey of N-[1-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methylamino]-1-oxobutan-2-yl]-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide?
The InChIKey is JUIKTXDJABKJNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N7O6/c1-4-15(25-20(33)14-6-5-7-30-19(14)26-27-23(30)36)21(34)24-11-13-10-16(31)18(32)17-22(35)28(12(2)3)8-9-29(13)17/h5-7,10,12,15,32H,4,8-9,11H2,1-3H3,(H,24,34)(H,25,33)(H,27,36).
What are the key properties of N-[1-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methylamino]-1-oxobutan-2-yl]-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide?
N-[1-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methylamino]-1-oxobutan-2-yl]-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide has a molecular weight of 497.51 g/mol, XLogP of -0.42, 7 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methylamino]-1-oxobutan-2-yl]-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide is sourced from PubChem (CID 118621083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).