2-(cyclohexylmethyl)-4,9-dihydroxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxylic acid

C16H20N2O6 — CID 91284141

IUPAC2-(cyclohexylmethyl)-4,9-dihydroxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxylic acid
SMILESO=C(O)c1cn2c(c(O)c1=O)C(=O)N(CC1CCCCC1)CC2O
InChIInChI=1S/C16H20N2O6/c19-11-8-17(6-9-4-2-1-3-5-9)15(22)12-14(21)13(20)10(16(23)24)7-18(11)12/h7,9,11,19,21H,1-6,8H2,(H,23,24)
InChIKeyDJEKUJZCJIKFFB-UHFFFAOYSA-N
MW336.34 g/mol
LogP0.78
Rot. Bonds3

About 2-(cyclohexylmethyl)-4,9-dihydroxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxylic acid

2-(cyclohexylmethyl)-4,9-dihydroxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxylic acid (PubChem CID 91284141) has the molecular formula C16H20N2O6 and a molecular weight of 336.34 g/mol. Its IUPAC name is 2-(cyclohexylmethyl)-4,9-dihydroxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxylic acid.

Molecular Properties

Compound Name2-(cyclohexylmethyl)-4,9-dihydroxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxylic acid
PubChem CID91284141
Molecular FormulaC16H20N2O6
Molecular Weight336.34 g/mol
Exact Mass336.13
IUPAC Name2-(cyclohexylmethyl)-4,9-dihydroxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxylic acid
SMILESO=C(O)c1cn2c(c(O)c1=O)C(=O)N(CC1CCCCC1)CC2O
InChIInChI=1S/C16H20N2O6/c19-11-8-17(6-9-4-2-1-3-5-9)15(22)12-14(21)13(20)10(16(23)24)7-18(11)12/h7,9,11,19,21H,1-6,8H2,(H,23,24)
InChIKeyDJEKUJZCJIKFFB-UHFFFAOYSA-N
XLogP0.78
TPSA120.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.34
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-(cyclohexylmethyl)-4,9-dihydroxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(cyclohexylmethyl)-9-hydroxy-2-(2-methoxyethyl)-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxylic acid
CID 67471611
4-(cyclohexylmethyl)-11-hydroxy-9,12-dioxo-1,4,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxylic acid
CID 140800549
(4S)-4-benzhydryl-2-(carboxymethyl)-9-hydroxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxylic acid
CID 70368565
9-hydroxy-2-(oxan-2-ylmethyl)-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxylic acid
CID 134385217
2,11-dihydroxy-9,12-dioxo-1,5,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxylic acid
CID 91508474
3,9-dihydroxy-2-(3-methoxypropyl)-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxylic acid
CID 90869095
(7R)-11-hydroxy-7-methyl-9,12-dioxo-4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxylic acid
CID 122696193
9-hydroxy-2,3-dimethyl-4-(morpholin-4-ylmethyl)-1,8-dioxo-4H-pyrido[1,2-d][1,2,4]triazine-7-carboxylic acid
CID 91308702
3,9-dihydroxy-1,8-dioxo-2-(2-phenoxyethyl)-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxylic acid
CID 91430889
(3R,5S)-5-ethyl-11-hydroxy-9,12-dioxo-4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxylic acid
CID 91565419
(3R)-3-(cyclohexylcarbamoyl)-9-hydroxy-2-(2-methoxy-2-oxoethyl)-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxylic acid
CID 164671643
4-benzhydryl-2-[(2,4-difluorophenyl)methyl]-9-hydroxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxylic acid
CID 77298121

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylmethyl)-4,9-dihydroxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxylic acid?
The IUPAC name of 2-(cyclohexylmethyl)-4,9-dihydroxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxylic acid (CID 91284141) is 2-(cyclohexylmethyl)-4,9-dihydroxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxylic acid.
What is the SMILES notation for 2-(cyclohexylmethyl)-4,9-dihydroxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxylic acid?
The canonical SMILES for 2-(cyclohexylmethyl)-4,9-dihydroxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxylic acid is O=C(O)c1cn2c(c(O)c1=O)C(=O)N(CC1CCCCC1)CC2O.
What is the InChIKey of 2-(cyclohexylmethyl)-4,9-dihydroxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxylic acid?
The InChIKey is DJEKUJZCJIKFFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O6/c19-11-8-17(6-9-4-2-1-3-5-9)15(22)12-14(21)13(20)10(16(23)24)7-18(11)12/h7,9,11,19,21H,1-6,8H2,(H,23,24).
What are the key properties of 2-(cyclohexylmethyl)-4,9-dihydroxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxylic acid?
2-(cyclohexylmethyl)-4,9-dihydroxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxylic acid has a molecular weight of 336.34 g/mol, XLogP of 0.78, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylmethyl)-4,9-dihydroxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxylic acid is sourced from PubChem (CID 91284141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).