(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

C27H28N6S — CID 169100673

IUPAC(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
SMILESN[C@@H]1c2ccccc2CC12CCN(c1ncc3sc(N4CCCc5ccccc54)nc3n1)CC2
InChIInChI=1S/C27H28N6S/c28-23-20-9-3-1-7-19(20)16-27(23)11-14-32(15-12-27)25-29-17-22-24(30-25)31-26(34-22)33-13-5-8-18-6-2-4-10-21(18)33/h1-4,6-7,9-10,17,23H,5,8,11-16,28H2/t23-/m1/s1
InChIKeyFRBGOLKXQGLDMO-HSZRJFAPSA-N
MW468.63 g/mol
LogP5.01
Rot. Bonds2

About (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

(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 (PubChem CID 169100673) has the molecular formula C27H28N6S and a molecular weight of 468.63 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID169100673
Molecular FormulaC27H28N6S
Molecular Weight468.63 g/mol
Exact Mass468.21
IUPAC Name(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
SMILESN[C@@H]1c2ccccc2CC12CCN(c1ncc3sc(N4CCCc5ccccc54)nc3n1)CC2
InChIInChI=1S/C27H28N6S/c28-23-20-9-3-1-7-19(20)16-27(23)11-14-32(15-12-27)25-29-17-22-24(30-25)31-26(34-22)33-13-5-8-18-6-2-4-10-21(18)33/h1-4,6-7,9-10,17,23H,5,8,11-16,28H2/t23-/m1/s1
InChIKeyFRBGOLKXQGLDMO-HSZRJFAPSA-N
XLogP5.01
TPSA71.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.63
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (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 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'-[2-(2,3-dichlorophenyl)sulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
CID 169100493
(1S)-1'-[6-(3,4-dihydro-2H-quinolin-1-yl)-5-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;methane
CID 159252841
(1S)-1'-[2-(3-amino-2-chlorophenyl)pyrazolo[3,4-d]pyrimidin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
CID 169100593
(1S)-1'-[2-(2,3-dichlorophenyl)pyrazolo[3,4-d][1,3]thiazol-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
CID 169100553
(1S)-1'-[6-(2-chlorophenyl)-1,2,4-triazin-3-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
CID 155164169
(1S)-1'-[8-(2,3-dichlorophenyl)-7-ethylpurin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
CID 169100683
(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'-(5-chloropyrazin-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
CID 148763181
6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-2-(2,6-dichlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-3-one
CID 169100620
(1S)-1'-[2-(1,4-dimethylpyrazol-3-yl)-[1,3]oxazolo[5,4-d]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
CID 169100529
(1R)-1'-methylspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
CID 167047869

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is N[C@@H]1c2ccccc2CC12CCN(c1ncc3sc(N4CCCc5ccccc54)nc3n1)CC2.
What is the InChIKey of (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?
The InChIKey is FRBGOLKXQGLDMO-HSZRJFAPSA-N. The full InChI is InChI=1S/C27H28N6S/c28-23-20-9-3-1-7-19(20)16-27(23)11-14-32(15-12-27)25-29-17-22-24(30-25)31-26(34-22)33-13-5-8-18-6-2-4-10-21(18)33/h1-4,6-7,9-10,17,23H,5,8,11-16,28H2/t23-/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 468.63 g/mol, XLogP of 5.01, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 169100673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).