(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

C23H27N5O6 — CID 118638400

IUPAC(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
SMILESCCCCOc1c2n(c(COC(=O)c3cccn4c(=O)[nH]nc34)cc1=O)CCN(C(C)C)C2=O
InChIInChI=1S/C23H27N5O6/c1-4-5-11-33-19-17(29)12-15(27-10-9-26(14(2)3)21(30)18(19)27)13-34-22(31)16-7-6-8-28-20(16)24-25-23(28)32/h6-8,12,14H,4-5,9-11,13H2,1-3H3,(H,25,32)
InChIKeyTTXGUWMMJNQIQN-UHFFFAOYSA-N
MW469.50 g/mol
LogP1.58
Rot. Bonds8

About (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

(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 (PubChem CID 118638400) has the molecular formula C23H27N5O6 and a molecular weight of 469.50 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID118638400
Molecular FormulaC23H27N5O6
Molecular Weight469.50 g/mol
Exact Mass469.20
IUPAC Name(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
SMILESCCCCOc1c2n(c(COC(=O)c3cccn4c(=O)[nH]nc34)cc1=O)CCN(C(C)C)C2=O
InChIInChI=1S/C23H27N5O6/c1-4-5-11-33-19-17(29)12-15(27-10-9-26(14(2)3)21(30)18(19)27)13-34-22(31)16-7-6-8-28-20(16)24-25-23(28)32/h6-8,12,14H,4-5,9-11,13H2,1-3H3,(H,25,32)
InChIKeyTTXGUWMMJNQIQN-UHFFFAOYSA-N
XLogP1.58
TPSA128.00 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.50
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (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 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)methylamino]-1-oxobutan-2-yl]-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
CID 118621083
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
2-aminoethyl 3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate
CID 118632770
6-[(2-bromophenyl)methyl]-9-butoxy-2-propan-2-yl-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione
CID 90274925
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-[(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl]benzenesulfonamide
CID 118624559
9-butoxy-6-[(4-chloro-2-methylphenyl)methyl]-2-propan-2-yl-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione
CID 90290080
bis(4-methylpentyl) benzene-1,2-dicarboxylate;dibutyl benzene-1,2-dicarboxylate
CID 160766825
N-[(5-methoxy-2-pyridinyl)methyl]-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
CID 136536829
dibutyl 2,3-dibutoxybenzene-1,4-dicarboxylate
CID 90075553
dibutyl benzene-1,2-dicarboxylate
CID 69108201
butyl 4-oxopyrido[1,2-a]pyrimidine-3-carboxylate
CID 113222289

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CCCCOc1c2n(c(COC(=O)c3cccn4c(=O)[nH]nc34)cc1=O)CCN(C(C)C)C2=O.
What is the InChIKey of (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?
The InChIKey is TTXGUWMMJNQIQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O6/c1-4-5-11-33-19-17(29)12-15(27-10-9-26(14(2)3)21(30)18(19)27)13-34-22(31)16-7-6-8-28-20(16)24-25-23(28)32/h6-8,12,14H,4-5,9-11,13H2,1-3H3,(H,25,32).
What are the key properties of (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?
(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 has a molecular weight of 469.50 g/mol, XLogP of 1.58, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 118638400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).