(3R)-3-(cyclohexylcarbamoyl)-9-hydroxy-2-(3-morpholin-4-ylpropyl)-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxylic acid

C23H32N4O7 — CID 164671638

IUPAC(3R)-3-(cyclohexylcarbamoyl)-9-hydroxy-2-(3-morpholin-4-ylpropyl)-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxylic acid
SMILESO=C(O)c1cn2c(c(O)c1=O)C(=O)N(CCCN1CCOCC1)[C@@H](C(=O)NC1CCCCC1)C2
InChIInChI=1S/C23H32N4O7/c28-19-16(23(32)33)13-26-14-17(21(30)24-15-5-2-1-3-6-15)27(22(31)18(26)20(19)29)8-4-7-25-9-11-34-12-10-25/h13,15,17,29H,1-12,14H2,(H,24,30)(H,32,33)/t17-/m1/s1
InChIKeyIWQIGLIIFXPFCN-QGZVFWFLSA-N
MW476.53 g/mol
LogP0.25
Rot. Bonds7

About (3R)-3-(cyclohexylcarbamoyl)-9-hydroxy-2-(3-morpholin-4-ylpropyl)-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxylic acid

(3R)-3-(cyclohexylcarbamoyl)-9-hydroxy-2-(3-morpholin-4-ylpropyl)-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxylic acid (PubChem CID 164671638) has the molecular formula C23H32N4O7 and a molecular weight of 476.53 g/mol. Its IUPAC name is (3R)-3-(cyclohexylcarbamoyl)-9-hydroxy-2-(3-morpholin-4-ylpropyl)-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxylic acid.

Molecular Properties

Compound Name(3R)-3-(cyclohexylcarbamoyl)-9-hydroxy-2-(3-morpholin-4-ylpropyl)-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxylic acid
PubChem CID164671638
Molecular FormulaC23H32N4O7
Molecular Weight476.53 g/mol
Exact Mass476.23
IUPAC Name(3R)-3-(cyclohexylcarbamoyl)-9-hydroxy-2-(3-morpholin-4-ylpropyl)-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxylic acid
SMILESO=C(O)c1cn2c(c(O)c1=O)C(=O)N(CCCN1CCOCC1)[C@@H](C(=O)NC1CCCCC1)C2
InChIInChI=1S/C23H32N4O7/c28-19-16(23(32)33)13-26-14-17(21(30)24-15-5-2-1-3-6-15)27(22(31)18(26)20(19)29)8-4-7-25-9-11-34-12-10-25/h13,15,17,29H,1-12,14H2,(H,24,30)(H,32,33)/t17-/m1/s1
InChIKeyIWQIGLIIFXPFCN-QGZVFWFLSA-N
XLogP0.25
TPSA141.41 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.53
LogP ≤ 50.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze (3R)-3-(cyclohexylcarbamoyl)-9-hydroxy-2-(3-morpholin-4-ylpropyl)-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxylic acid with MolForge

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Related Compounds

(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
3-(cyclohexylcarbamoyl)-2-(2,2-dimethoxyethyl)-9-hydroxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxylic acid
CID 170552348
N-cyclopentyl-2-(3-morpholin-4-ylpropyl)-3-oxo-1,4-dihydropyrrolo[1,2-a]pyrazine-1-carboxamide
CID 122175556
2-benzyl-3-(tert-butylcarbamoyl)-9-hydroxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxylic acid
CID 150694577
3,9-dihydroxy-1,8-dioxo-2-(4-phenylbutyl)-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxylic acid
CID 91500788
1-cyclohexyl-2-(4-morpholin-4-ylbutyl)guanidine;hydroiodide
CID 111059840
(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
4-N-cycloheptyl-1-N-(2-morpholin-4-ylethyl)cyclohexane-1,4-dicarboxamide
CID 109147192
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
(1S,2S,5R,6R,7S)-2-N-cyclohexyl-6-N-(3,4-dichlorophenyl)-3-(3-morpholin-4-ylpropyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide
CID 98179970
9-hydroxy-2-(oxan-2-ylmethyl)-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxylic acid
CID 134385217

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(cyclohexylcarbamoyl)-9-hydroxy-2-(3-morpholin-4-ylpropyl)-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxylic acid?
The IUPAC name of (3R)-3-(cyclohexylcarbamoyl)-9-hydroxy-2-(3-morpholin-4-ylpropyl)-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxylic acid (CID 164671638) is (3R)-3-(cyclohexylcarbamoyl)-9-hydroxy-2-(3-morpholin-4-ylpropyl)-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxylic acid.
What is the SMILES notation for (3R)-3-(cyclohexylcarbamoyl)-9-hydroxy-2-(3-morpholin-4-ylpropyl)-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxylic acid?
The canonical SMILES for (3R)-3-(cyclohexylcarbamoyl)-9-hydroxy-2-(3-morpholin-4-ylpropyl)-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(CCCN1CCOCC1)[C@@H](C(=O)NC1CCCCC1)C2.
What is the InChIKey of (3R)-3-(cyclohexylcarbamoyl)-9-hydroxy-2-(3-morpholin-4-ylpropyl)-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxylic acid?
The InChIKey is IWQIGLIIFXPFCN-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H32N4O7/c28-19-16(23(32)33)13-26-14-17(21(30)24-15-5-2-1-3-6-15)27(22(31)18(26)20(19)29)8-4-7-25-9-11-34-12-10-25/h13,15,17,29H,1-12,14H2,(H,24,30)(H,32,33)/t17-/m1/s1.
What are the key properties of (3R)-3-(cyclohexylcarbamoyl)-9-hydroxy-2-(3-morpholin-4-ylpropyl)-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxylic acid?
(3R)-3-(cyclohexylcarbamoyl)-9-hydroxy-2-(3-morpholin-4-ylpropyl)-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxylic acid has a molecular weight of 476.53 g/mol, XLogP of 0.25, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(cyclohexylcarbamoyl)-9-hydroxy-2-(3-morpholin-4-ylpropyl)-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxylic acid is sourced from PubChem (CID 164671638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).