(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

C30H35N7 — CID 167549037

IUPAC(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
SMILESC.N[C@@H]1c2ccccc2CC12C[C@H]1CC[C@@H](C2)N1c1cnc2c(n1)CN=C2N1CCCc2ncccc21
InChIInChI=1S/C29H31N7.CH4/c30-27-21-6-2-1-5-18(21)13-29(27)14-19-9-10-20(15-29)36(19)25-17-32-26-23(34-25)16-33-28(26)35-12-4-7-22-24(35)8-3-11-31-22;/h1-3,5-6,8,11,17,19-20,27H,4,7,9-10,12-16,30H2;1H4/t19-,20+,27-,29?;/m1./s1
InChIKeyCECWUBZLQATDFV-UXDVUETRSA-N
MW493.66 g/mol
LogP4.59
Rot. Bonds1

About (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

(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 (PubChem CID 167549037) has the molecular formula C30H35N7 and a molecular weight of 493.66 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID167549037
Molecular FormulaC30H35N7
Molecular Weight493.66 g/mol
Exact Mass493.30
IUPAC Name(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
SMILESC.N[C@@H]1c2ccccc2CC12C[C@H]1CC[C@@H](C2)N1c1cnc2c(n1)CN=C2N1CCCc2ncccc21
InChIInChI=1S/C29H31N7.CH4/c30-27-21-6-2-1-5-18(21)13-29(27)14-19-9-10-20(15-29)36(19)25-17-32-26-23(34-25)16-33-28(26)35-12-4-7-22-24(35)8-3-11-31-22;/h1-3,5-6,8,11,17,19-20,27H,4,7,9-10,12-16,30H2;1H4/t19-,20+,27-,29?;/m1./s1
InChIKeyCECWUBZLQATDFV-UXDVUETRSA-N
XLogP4.59
TPSA83.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.66
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (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 with MolForge

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Related Compounds

(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)-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
(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
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
(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-[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-[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'-[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
(1R)-1'-[7-(3-fluoro-4-pyridinyl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;methane
CID 159500577
tert-butyl N-[(1S)-1'-[7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]spiro[bicyclo[3.1.0]hexane-3,4'-piperidine]-2-yl]carbamate;tert-butyl N-[(1S,2S)-1'-[7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]spiro[bicyclo[3.1.0]hexane-3,4'-piperidine]-2-yl]carbamate;tert-butyl N-[(1S,2R)-1'-[7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]spiro[bicyclo[3.1.0]hexane-3,4'-piperidine]-2-yl]carbamate;(1S)-1'-[7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]spiro[bicyclo[3.1.0]hexane-3,4'-piperidine]-2-amine;bis((1S,2R)-1'-[7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]spiro[bicyclo[3.1.0]hexane-3,4'-piperidine]-2-amine);1'-[7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]spiro[bicyclo[3.1.0]hexane-3,4'-piperidine]-2-amine;methyl thiohypofluorite
CID 167576489
(3S)-3-amino-6-fluoro-1'-[7-(6-piperazin-1-yl-3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-5-carbonitrile
CID 163633403

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is C.N[C@@H]1c2ccccc2CC12C[C@H]1CC[C@@H](C2)N1c1cnc2c(n1)CN=C2N1CCCc2ncccc21.
What is the InChIKey of (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?
The InChIKey is CECWUBZLQATDFV-UXDVUETRSA-N. The full InChI is InChI=1S/C29H31N7.CH4/c30-27-21-6-2-1-5-18(21)13-29(27)14-19-9-10-20(15-29)36(19)25-17-32-26-23(34-25)16-33-28(26)35-12-4-7-22-24(35)8-3-11-31-22;/h1-3,5-6,8,11,17,19-20,27H,4,7,9-10,12-16,30H2;1H4/t19-,20+,27-,29?;/m1./s1.
What are the key properties of (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?
(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 has a molecular weight of 493.66 g/mol, XLogP of 4.59, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 167549037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).