1-ethyl-7-methyl-3-[(3S)-3-pyrazin-2-yloxypiperidine-1-carbonyl]-1,8-naphthyridin-4-one

C21H23N5O3 — CID 100645686

IUPAC1-ethyl-7-methyl-3-[(3S)-3-pyrazin-2-yloxypiperidine-1-carbonyl]-1,8-naphthyridin-4-one
SMILESCCn1cc(C(=O)N2CCC[C@H](Oc3cnccn3)C2)c(=O)c2ccc(C)nc21
InChIInChI=1S/C21H23N5O3/c1-3-25-13-17(19(27)16-7-6-14(2)24-20(16)25)21(28)26-10-4-5-15(12-26)29-18-11-22-8-9-23-18/h6-9,11,13,15H,3-5,10,12H2,1-2H3/t15-/m0/s1
InChIKeyOAARLSYBUWUEAW-HNNXBMFYSA-N
MW393.45 g/mol
LogP2.20
Rot. Bonds4

About 1-ethyl-7-methyl-3-[(3S)-3-pyrazin-2-yloxypiperidine-1-carbonyl]-1,8-naphthyridin-4-one

1-ethyl-7-methyl-3-[(3S)-3-pyrazin-2-yloxypiperidine-1-carbonyl]-1,8-naphthyridin-4-one (PubChem CID 100645686) has the molecular formula C21H23N5O3 and a molecular weight of 393.45 g/mol. Its IUPAC name is 1-ethyl-7-methyl-3-[(3S)-3-pyrazin-2-yloxypiperidine-1-carbonyl]-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name1-ethyl-7-methyl-3-[(3S)-3-pyrazin-2-yloxypiperidine-1-carbonyl]-1,8-naphthyridin-4-one
PubChem CID100645686
Molecular FormulaC21H23N5O3
Molecular Weight393.45 g/mol
Exact Mass393.18
IUPAC Name1-ethyl-7-methyl-3-[(3S)-3-pyrazin-2-yloxypiperidine-1-carbonyl]-1,8-naphthyridin-4-one
SMILESCCn1cc(C(=O)N2CCC[C@H](Oc3cnccn3)C2)c(=O)c2ccc(C)nc21
InChIInChI=1S/C21H23N5O3/c1-3-25-13-17(19(27)16-7-6-14(2)24-20(16)25)21(28)26-10-4-5-15(12-26)29-18-11-22-8-9-23-18/h6-9,11,13,15H,3-5,10,12H2,1-2H3/t15-/m0/s1
InChIKeyOAARLSYBUWUEAW-HNNXBMFYSA-N
XLogP2.20
TPSA90.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-ethyl-7-methyl-3-[(3S)-3-pyrazin-2-yloxypiperidine-1-carbonyl]-1,8-naphthyridin-4-one with MolForge

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Related Compounds

1-ethyl-7-methyl-3-[(3R)-3-pyrazin-2-yloxypiperidine-1-carbonyl]-1,8-naphthyridin-4-one
CID 100645703
1-ethyl-7-methyl-3-(4-pyridin-3-yloxypiperidine-1-carbonyl)-1,8-naphthyridin-4-one
CID 90566061
1-ethyl-7-methyl-3-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carbonyl]-1,8-naphthyridin-4-one
CID 122247626
6-[1-(1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carbonyl)azetidin-3-yl]oxypyridine-3-carbonitrile
CID 122248820
[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl] 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 7246320
1-ethyl-3-[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carbonyl]-7-methyl-1,8-naphthyridin-4-one
CID 121069458
naphthalen-1-yl-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone
CID 90636125
2,3-dihydro-1,4-benzodioxin-5-yl-(3-pyrazin-2-yloxypiperidin-1-yl)methanone
CID 91627905
1-ethyl-3-[4-[(2-ethylimidazol-1-yl)methyl]piperidine-1-carbonyl]-7-methyl-1,8-naphthyridin-4-one
CID 90493323
(4-methylthiadiazol-5-yl)-(3-pyrazin-2-yloxypiperidin-1-yl)methanone
CID 91627868
3-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidine-1-carbonyl]-1-ethyl-7-methyl-1,8-naphthyridin-4-one
CID 90495193
(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[(3S)-3-pyrazin-2-yloxypiperidin-1-yl]methanone
CID 100647018

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-7-methyl-3-[(3S)-3-pyrazin-2-yloxypiperidine-1-carbonyl]-1,8-naphthyridin-4-one?
The IUPAC name of 1-ethyl-7-methyl-3-[(3S)-3-pyrazin-2-yloxypiperidine-1-carbonyl]-1,8-naphthyridin-4-one (CID 100645686) is 1-ethyl-7-methyl-3-[(3S)-3-pyrazin-2-yloxypiperidine-1-carbonyl]-1,8-naphthyridin-4-one.
What is the SMILES notation for 1-ethyl-7-methyl-3-[(3S)-3-pyrazin-2-yloxypiperidine-1-carbonyl]-1,8-naphthyridin-4-one?
The canonical SMILES for 1-ethyl-7-methyl-3-[(3S)-3-pyrazin-2-yloxypiperidine-1-carbonyl]-1,8-naphthyridin-4-one is CCn1cc(C(=O)N2CCC[C@H](Oc3cnccn3)C2)c(=O)c2ccc(C)nc21.
What is the InChIKey of 1-ethyl-7-methyl-3-[(3S)-3-pyrazin-2-yloxypiperidine-1-carbonyl]-1,8-naphthyridin-4-one?
The InChIKey is OAARLSYBUWUEAW-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H23N5O3/c1-3-25-13-17(19(27)16-7-6-14(2)24-20(16)25)21(28)26-10-4-5-15(12-26)29-18-11-22-8-9-23-18/h6-9,11,13,15H,3-5,10,12H2,1-2H3/t15-/m0/s1.
What are the key properties of 1-ethyl-7-methyl-3-[(3S)-3-pyrazin-2-yloxypiperidine-1-carbonyl]-1,8-naphthyridin-4-one?
1-ethyl-7-methyl-3-[(3S)-3-pyrazin-2-yloxypiperidine-1-carbonyl]-1,8-naphthyridin-4-one has a molecular weight of 393.45 g/mol, XLogP of 2.20, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-7-methyl-3-[(3S)-3-pyrazin-2-yloxypiperidine-1-carbonyl]-1,8-naphthyridin-4-one is sourced from PubChem (CID 100645686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).