(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

C29H33N7O — CID 160631141

IUPAC(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
SMILESC[C@H](O)c1nc2c(nc1N1CCC3(CC1)Cc1ccccc1[C@H]3N)CN=C2N1CCCc2ncccc21
InChIInChI=1S/C29H33N7O/c1-18(37)24-28(35-14-10-29(11-15-35)16-19-6-2-3-7-20(19)26(29)30)33-22-17-32-27(25(22)34-24)36-13-5-8-21-23(36)9-4-12-31-21/h2-4,6-7,9,12,18,26,37H,5,8,10-11,13-17,30H2,1H3/t18-,26+/m0/s1
InChIKeyABRIIUPMPMYRKO-HFJWLAOPSA-N
MW495.63 g/mol
LogP3.48
Rot. Bonds2

About (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

(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 (PubChem CID 160631141) has the molecular formula C29H33N7O and a molecular weight of 495.63 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID160631141
Molecular FormulaC29H33N7O
Molecular Weight495.63 g/mol
Exact Mass495.27
IUPAC Name(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
SMILESC[C@H](O)c1nc2c(nc1N1CCC3(CC1)Cc1ccccc1[C@H]3N)CN=C2N1CCCc2ncccc21
InChIInChI=1S/C29H33N7O/c1-18(37)24-28(35-14-10-29(11-15-35)16-19-6-2-3-7-20(19)26(29)30)33-22-17-32-27(25(22)34-24)36-13-5-8-21-23(36)9-4-12-31-21/h2-4,6-7,9,12,18,26,37H,5,8,10-11,13-17,30H2,1H3/t18-,26+/m0/s1
InChIKeyABRIIUPMPMYRKO-HFJWLAOPSA-N
XLogP3.48
TPSA103.76 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.63
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze (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 with MolForge

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Related Compounds

(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
(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'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-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
4-[[3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-5H-pyrrolo[3,4-b]pyrazin-7-yl]oxy]-3-chloro-1-methylpyridin-2-one;(1S)-1'-[7-[(3-chloro-2-methylidene-1H-pyridin-4-yl)oxy]-5H-pyrrolo[3,4-b]pyrazin-3-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(1S)-1'-[7-[(3-chloro-2-methyl-4-pyridinyl)amino]-5H-pyrrolo[3,4-b]pyrazin-3-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(1S)-1'-[2-(difluoromethyl)-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]-1-amine
CID 167615148
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 N-[(1S)-1'-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5-(1-hydroxyethyl)-1-(oxan-2-yl)pyrazolo[4,5-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate
CID 155774334
(1S)-1'-[2-(3,4-dihydro-2H-quinolin-1-yl)-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
CID 169100673

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is C[C@H](O)c1nc2c(nc1N1CCC3(CC1)Cc1ccccc1[C@H]3N)CN=C2N1CCCc2ncccc21.
What is the InChIKey of (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?
The InChIKey is ABRIIUPMPMYRKO-HFJWLAOPSA-N. The full InChI is InChI=1S/C29H33N7O/c1-18(37)24-28(35-14-10-29(11-15-35)16-19-6-2-3-7-20(19)26(29)30)33-22-17-32-27(25(22)34-24)36-13-5-8-21-23(36)9-4-12-31-21/h2-4,6-7,9,12,18,26,37H,5,8,10-11,13-17,30H2,1H3/t18-,26+/m0/s1.
What are the key properties of (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?
(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 has a molecular weight of 495.63 g/mol, XLogP of 3.48, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 160631141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).