(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

C28H28N8 — CID 161452087

IUPAC(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
SMILESN#Cc1cccc2c1CC1(CCN(c3cnc4c(n3)CN=C4N3CCCc4ncccc43)CC1)[C@@H]2N
InChIInChI=1S/C28H28N8/c29-15-18-4-1-5-19-20(18)14-28(26(19)30)8-12-35(13-9-28)24-17-32-25-22(34-24)16-33-27(25)36-11-3-6-21-23(36)7-2-10-31-21/h1-2,4-5,7,10,17,26H,3,6,8-9,11-14,16,30H2/t26-/m1/s1
InChIKeyDNOOXLGHVWPYPT-AREMUKBSSA-N
MW476.59 g/mol
LogP3.30
Rot. Bonds1

About (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

(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 (PubChem CID 161452087) has the molecular formula C28H28N8 and a molecular weight of 476.59 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID161452087
Molecular FormulaC28H28N8
Molecular Weight476.59 g/mol
Exact Mass476.24
IUPAC Name(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
SMILESN#Cc1cccc2c1CC1(CCN(c3cnc4c(n3)CN=C4N3CCCc4ncccc43)CC1)[C@@H]2N
InChIInChI=1S/C28H28N8/c29-15-18-4-1-5-19-20(18)14-28(26(19)30)8-12-35(13-9-28)24-17-32-25-22(34-24)16-33-27(25)36-11-3-6-21-23(36)7-2-10-31-21/h1-2,4-5,7,10,17,26H,3,6,8-9,11-14,16,30H2/t26-/m1/s1
InChIKeyDNOOXLGHVWPYPT-AREMUKBSSA-N
XLogP3.30
TPSA107.32 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.59
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(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
(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
(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
(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-[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
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-[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'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
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,4S)-3-methyl-8-[7-[6-(2-methylpyrazol-3-yl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]-5H-pyrrolo[3,4-b]pyrazin-3-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine
CID 158044741

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is N#Cc1cccc2c1CC1(CCN(c3cnc4c(n3)CN=C4N3CCCc4ncccc43)CC1)[C@@H]2N.
What is the InChIKey of (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?
The InChIKey is DNOOXLGHVWPYPT-AREMUKBSSA-N. The full InChI is InChI=1S/C28H28N8/c29-15-18-4-1-5-19-20(18)14-28(26(19)30)8-12-35(13-9-28)24-17-32-25-22(34-24)16-33-27(25)36-11-3-6-21-23(36)7-2-10-31-21/h1-2,4-5,7,10,17,26H,3,6,8-9,11-14,16,30H2/t26-/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 476.59 g/mol, XLogP of 3.30, 1 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 161452087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).