3-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole-2-carbonyl)-1-ethyl-7-methyl-1,8-naphthyridin-4-one

C22H21N5O2 — CID 5309135

IUPAC3-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole-2-carbonyl)-1-ethyl-7-methyl-1,8-naphthyridin-4-one
SMILESCCn1cc(C(=O)N2CCn3c(nc4ccccc43)C2)c(=O)c2ccc(C)nc21
InChIInChI=1S/C22H21N5O2/c1-3-25-12-16(20(28)15-9-8-14(2)23-21(15)25)22(29)26-10-11-27-18-7-5-4-6-17(18)24-19(27)13-26/h4-9,12H,3,10-11,13H2,1-2H3
InChIKeyUXKJLFJPDSJGFO-UHFFFAOYSA-N
MW387.44 g/mol
LogP2.73
Rot. Bonds2

About 3-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole-2-carbonyl)-1-ethyl-7-methyl-1,8-naphthyridin-4-one

3-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole-2-carbonyl)-1-ethyl-7-methyl-1,8-naphthyridin-4-one (PubChem CID 5309135) has the molecular formula C22H21N5O2 and a molecular weight of 387.44 g/mol. Its IUPAC name is 3-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole-2-carbonyl)-1-ethyl-7-methyl-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name3-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole-2-carbonyl)-1-ethyl-7-methyl-1,8-naphthyridin-4-one
PubChem CID5309135
Molecular FormulaC22H21N5O2
Molecular Weight387.44 g/mol
Exact Mass387.17
IUPAC Name3-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole-2-carbonyl)-1-ethyl-7-methyl-1,8-naphthyridin-4-one
SMILESCCn1cc(C(=O)N2CCn3c(nc4ccccc43)C2)c(=O)c2ccc(C)nc21
InChIInChI=1S/C22H21N5O2/c1-3-25-12-16(20(28)15-9-8-14(2)23-21(15)25)22(29)26-10-11-27-18-7-5-4-6-17(18)24-19(27)13-26/h4-9,12H,3,10-11,13H2,1-2H3
InChIKeyUXKJLFJPDSJGFO-UHFFFAOYSA-N
XLogP2.73
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-ethyl-7-methyl-1,8-naphthyridin-4-one
CID 43811695
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CID 90537434
3-[3-(benzenesulfonyl)pyrrolidine-1-carbonyl]-1-ethyl-7-methyl-1,8-naphthyridin-4-one
CID 90584924
1-ethyl-7-methyl-3-[4-(6-methyl-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]-1,8-naphthyridin-4-one
CID 121083117
N-[(2S)-1-(benzotriazol-1-yl)-1-oxopropan-2-yl]-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
CID 71482324
N-benzyl-2-[7-methyl-4-oxo-3-(piperidine-1-carbonyl)-1,8-naphthyridin-1-yl]acetamide
CID 53087029
1-ethyl-7-methyl-3-(4-pyridin-3-yloxypiperidine-1-carbonyl)-1,8-naphthyridin-4-one
CID 90566061
3-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidine-1-carbonyl]-1-ethyl-7-methyl-1,8-naphthyridin-4-one
CID 90495193
1'-(1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carbonyl)spiro[1,3-dihydroquinazoline-2,3'-piperidine]-4-one
CID 110219386
1-(1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carbonyl)pyrrolidine-2-carboxamide
CID 42650197
1'-(1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carbonyl)spiro[3H-1,3-benzoxazine-2,3'-piperidine]-4-one
CID 110219417
1-ethyl-3-[4-[(2-ethylimidazol-1-yl)methyl]piperidine-1-carbonyl]-7-methyl-1,8-naphthyridin-4-one
CID 90493323

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole-2-carbonyl)-1-ethyl-7-methyl-1,8-naphthyridin-4-one?
The IUPAC name of 3-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole-2-carbonyl)-1-ethyl-7-methyl-1,8-naphthyridin-4-one (CID 5309135) is 3-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole-2-carbonyl)-1-ethyl-7-methyl-1,8-naphthyridin-4-one.
What is the SMILES notation for 3-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole-2-carbonyl)-1-ethyl-7-methyl-1,8-naphthyridin-4-one?
The canonical SMILES for 3-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole-2-carbonyl)-1-ethyl-7-methyl-1,8-naphthyridin-4-one is CCn1cc(C(=O)N2CCn3c(nc4ccccc43)C2)c(=O)c2ccc(C)nc21.
What is the InChIKey of 3-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole-2-carbonyl)-1-ethyl-7-methyl-1,8-naphthyridin-4-one?
The InChIKey is UXKJLFJPDSJGFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O2/c1-3-25-12-16(20(28)15-9-8-14(2)23-21(15)25)22(29)26-10-11-27-18-7-5-4-6-17(18)24-19(27)13-26/h4-9,12H,3,10-11,13H2,1-2H3.
What are the key properties of 3-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole-2-carbonyl)-1-ethyl-7-methyl-1,8-naphthyridin-4-one?
3-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole-2-carbonyl)-1-ethyl-7-methyl-1,8-naphthyridin-4-one has a molecular weight of 387.44 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole-2-carbonyl)-1-ethyl-7-methyl-1,8-naphthyridin-4-one is sourced from PubChem (CID 5309135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).