1-(spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carbonyl)-2,4-dihydropyrido[3,4-b]pyrazin-3-one

C19H17N3O3 — CID 127379786

IUPAC1-(spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carbonyl)-2,4-dihydropyrido[3,4-b]pyrazin-3-one
SMILESO=C1CN(C(=O)C2CC23CCOc2ccccc23)c2ccncc2N1
InChIInChI=1S/C19H17N3O3/c23-17-11-22(15-5-7-20-10-14(15)21-17)18(24)13-9-19(13)6-8-25-16-4-2-1-3-12(16)19/h1-5,7,10,13H,6,8-9,11H2,(H,21,23)
InChIKeyJPRRBOWWJXFYIX-UHFFFAOYSA-N
MW335.36 g/mol
LogP2.11
Rot. Bonds1

About 1-(spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carbonyl)-2,4-dihydropyrido[3,4-b]pyrazin-3-one

1-(spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carbonyl)-2,4-dihydropyrido[3,4-b]pyrazin-3-one (PubChem CID 127379786) has the molecular formula C19H17N3O3 and a molecular weight of 335.36 g/mol. Its IUPAC name is 1-(spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carbonyl)-2,4-dihydropyrido[3,4-b]pyrazin-3-one.

Molecular Properties

Compound Name1-(spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carbonyl)-2,4-dihydropyrido[3,4-b]pyrazin-3-one
PubChem CID127379786
Molecular FormulaC19H17N3O3
Molecular Weight335.36 g/mol
Exact Mass335.13
IUPAC Name1-(spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carbonyl)-2,4-dihydropyrido[3,4-b]pyrazin-3-one
SMILESO=C1CN(C(=O)C2CC23CCOc2ccccc23)c2ccncc2N1
InChIInChI=1S/C19H17N3O3/c23-17-11-22(15-5-7-20-10-14(15)21-17)18(24)13-9-19(13)6-8-25-16-4-2-1-3-12(16)19/h1-5,7,10,13H,6,8-9,11H2,(H,21,23)
InChIKeyJPRRBOWWJXFYIX-UHFFFAOYSA-N
XLogP2.11
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(3,3-difluorocyclobutyl)acetyl]-2,4-dihydropyrido[3,4-b]pyrazin-3-one
CID 128555711
ethyl (1'R)-spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxylate
CID 153078138
[2-(2-chlorophenyl)piperazin-1-yl]-spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-ylmethanone;hydrochloride
CID 120738402
(1'R,4S)-N-[2-(2-methylpyrazol-3-yl)ethyl]spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxamide
CID 124882689
[2-(3-chlorophenyl)piperazin-1-yl]-spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-ylmethanone
CID 120802046
(1'R,4S)-N-[2-(pyridin-4-ylamino)phenyl]spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxamide;2,2,2-trifluoroacetic acid
CID 166208185
5'-methylspiro[2,3-dihydrochromene-4,4'-pyrrolidine]-2'-one
CID 66106756
(1'S,4R)-N-cyclopentylsulfonylspiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxamide
CID 124885267
(4S)-4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)-1,3-oxazolidin-2-one
CID 167948208
(1'R,4S)-N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxamide
CID 154736325
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxamide
CID 120882894
[(1'R,4S)-spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-yl]methanol
CID 124512943

Frequently Asked Questions

What is the IUPAC name of 1-(spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carbonyl)-2,4-dihydropyrido[3,4-b]pyrazin-3-one?
The IUPAC name of 1-(spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carbonyl)-2,4-dihydropyrido[3,4-b]pyrazin-3-one (CID 127379786) is 1-(spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carbonyl)-2,4-dihydropyrido[3,4-b]pyrazin-3-one.
What is the SMILES notation for 1-(spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carbonyl)-2,4-dihydropyrido[3,4-b]pyrazin-3-one?
The canonical SMILES for 1-(spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carbonyl)-2,4-dihydropyrido[3,4-b]pyrazin-3-one is O=C1CN(C(=O)C2CC23CCOc2ccccc23)c2ccncc2N1.
What is the InChIKey of 1-(spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carbonyl)-2,4-dihydropyrido[3,4-b]pyrazin-3-one?
The InChIKey is JPRRBOWWJXFYIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3/c23-17-11-22(15-5-7-20-10-14(15)21-17)18(24)13-9-19(13)6-8-25-16-4-2-1-3-12(16)19/h1-5,7,10,13H,6,8-9,11H2,(H,21,23).
What are the key properties of 1-(spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carbonyl)-2,4-dihydropyrido[3,4-b]pyrazin-3-one?
1-(spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carbonyl)-2,4-dihydropyrido[3,4-b]pyrazin-3-one has a molecular weight of 335.36 g/mol, XLogP of 2.11, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carbonyl)-2,4-dihydropyrido[3,4-b]pyrazin-3-one is sourced from PubChem (CID 127379786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).