1'-[7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]spiro[1,3-dihydroindene-2,4'-cyclohexene]-1-amine

C28H28N6 — CID 157457058

IUPAC1'-[7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]spiro[1,3-dihydroindene-2,4'-cyclohexene]-1-amine
SMILESNC1c2ccccc2CC12CC=C(c1cnc3c(n1)CN=C3N1CCCc3ncccc31)CC2
InChIInChI=1S/C28H28N6/c29-26-20-6-2-1-5-19(20)15-28(26)11-9-18(10-12-28)22-16-31-25-23(33-22)17-32-27(25)34-14-4-7-21-24(34)8-3-13-30-21/h1-3,5-6,8-9,13,16,26H,4,7,10-12,14-15,17,29H2
InChIKeySLXDYHYQKWJLGC-UHFFFAOYSA-N
MW448.57 g/mol
LogP4.39
Rot. Bonds1

About 1'-[7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]spiro[1,3-dihydroindene-2,4'-cyclohexene]-1-amine

1'-[7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]spiro[1,3-dihydroindene-2,4'-cyclohexene]-1-amine (PubChem CID 157457058) has the molecular formula C28H28N6 and a molecular weight of 448.57 g/mol. Its IUPAC name is 1'-[7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]spiro[1,3-dihydroindene-2,4'-cyclohexene]-1-amine.

Molecular Properties

Compound Name1'-[7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]spiro[1,3-dihydroindene-2,4'-cyclohexene]-1-amine
PubChem CID157457058
Molecular FormulaC28H28N6
Molecular Weight448.57 g/mol
Exact Mass448.24
IUPAC Name1'-[7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]spiro[1,3-dihydroindene-2,4'-cyclohexene]-1-amine
SMILESNC1c2ccccc2CC12CC=C(c1cnc3c(n1)CN=C3N1CCCc3ncccc31)CC2
InChIInChI=1S/C28H28N6/c29-26-20-6-2-1-5-19(20)15-28(26)11-9-18(10-12-28)22-16-31-25-23(33-22)17-32-27(25)34-14-4-7-21-24(34)8-3-13-30-21/h1-3,5-6,8-9,13,16,26H,4,7,10-12,14-15,17,29H2
InChIKeySLXDYHYQKWJLGC-UHFFFAOYSA-N
XLogP4.39
TPSA80.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.57
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1'-[7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]spiro[1,3-dihydroindene-2,4'-cyclohexene]-1-amine with MolForge

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Related Compounds

(1R)-4'-[7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]spiro[1,3-dihydroindene-2,1'-cyclohexane]-1-amine
CID 158936254
(1S,1'S,5'R)-8'-[7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]spiro[1,3-dihydroindene-2,3'-8-azabicyclo[3.2.1]octane]-1-amine
CID 167539373
(1S,1'R,5'S)-8'-[7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]spiro[1,3-dihydroindene-2,3'-8-azabicyclo[3.2.1]octane]-1-amine;methane
CID 167549037
(1S,1'R,5'S)-3'-[7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]spiro[1,3-dihydroindene-2,7'-9-azatricyclo[3.3.1.03,9]nonane]-1-amine;methane
CID 161329235
(1S)-1-[3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-2-yl]ethanol
CID 160631141
(1S)-1-[3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-2-yl]ethanol;methane
CID 160631140
(1S)-1-amino-1'-[7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-4-carbonitrile
CID 161452087
(1S)-1'-[7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]-4,6-difluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
CID 159265437
1-[7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]-4-methylpiperidin-4-amine
CID 159724926
tert-butyl-[3-[1'-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-cyclohexene]-1-yl]propylamino]-oxidosulfanium
CID 174022305
1'-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1-(2-oxocyclohexyl)pyrazolo[3,4-b]pyrazin-6-yl]spiro[3H-indene-2,4'-cyclohexene]-1-one
CID 175086923
[(1R)-4-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-1-methylcyclohex-3-en-1-yl]methanamine
CID 139527635

Frequently Asked Questions

What is the IUPAC name of 1'-[7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]spiro[1,3-dihydroindene-2,4'-cyclohexene]-1-amine?
The IUPAC name of 1'-[7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]spiro[1,3-dihydroindene-2,4'-cyclohexene]-1-amine (CID 157457058) is 1'-[7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]spiro[1,3-dihydroindene-2,4'-cyclohexene]-1-amine.
What is the SMILES notation for 1'-[7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]spiro[1,3-dihydroindene-2,4'-cyclohexene]-1-amine?
The canonical SMILES for 1'-[7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]spiro[1,3-dihydroindene-2,4'-cyclohexene]-1-amine is NC1c2ccccc2CC12CC=C(c1cnc3c(n1)CN=C3N1CCCc3ncccc31)CC2.
What is the InChIKey of 1'-[7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]spiro[1,3-dihydroindene-2,4'-cyclohexene]-1-amine?
The InChIKey is SLXDYHYQKWJLGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N6/c29-26-20-6-2-1-5-19(20)15-28(26)11-9-18(10-12-28)22-16-31-25-23(33-22)17-32-27(25)34-14-4-7-21-24(34)8-3-13-30-21/h1-3,5-6,8-9,13,16,26H,4,7,10-12,14-15,17,29H2.
What are the key properties of 1'-[7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]spiro[1,3-dihydroindene-2,4'-cyclohexene]-1-amine?
1'-[7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]spiro[1,3-dihydroindene-2,4'-cyclohexene]-1-amine has a molecular weight of 448.57 g/mol, XLogP of 4.39, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]spiro[1,3-dihydroindene-2,4'-cyclohexene]-1-amine is sourced from PubChem (CID 157457058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).