(1S)-1'-[2-(2-methylnaphthalen-1-yl)-[1,3]oxazolo[5,4-d]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine

C29H27N5O — CID 169100503

IUPAC(1S)-1'-[2-(2-methylnaphthalen-1-yl)-[1,3]oxazolo[5,4-d]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
SMILESCc1ccc2ccccc2c1-c1nc2cnc(N3CCC4(CC3)Cc3ccccc3[C@H]4N)nc2o1
InChIInChI=1S/C29H27N5O/c1-18-10-11-19-6-2-4-8-21(19)24(18)27-32-23-17-31-28(33-26(23)35-27)34-14-12-29(13-15-34)16-20-7-3-5-9-22(20)25(29)30/h2-11,17,25H,12-16,30H2,1H3/t25-/m1/s1
InChIKeyVRPWISBFDGABQE-RUZDIDTESA-N
MW461.57 g/mol
LogP5.59
Rot. Bonds2

About (1S)-1'-[2-(2-methylnaphthalen-1-yl)-[1,3]oxazolo[5,4-d]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine

(1S)-1'-[2-(2-methylnaphthalen-1-yl)-[1,3]oxazolo[5,4-d]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine (PubChem CID 169100503) has the molecular formula C29H27N5O and a molecular weight of 461.57 g/mol. Its IUPAC name is (1S)-1'-[2-(2-methylnaphthalen-1-yl)-[1,3]oxazolo[5,4-d]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine.

Molecular Properties

Compound Name(1S)-1'-[2-(2-methylnaphthalen-1-yl)-[1,3]oxazolo[5,4-d]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
PubChem CID169100503
Molecular FormulaC29H27N5O
Molecular Weight461.57 g/mol
Exact Mass461.22
IUPAC Name(1S)-1'-[2-(2-methylnaphthalen-1-yl)-[1,3]oxazolo[5,4-d]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
SMILESCc1ccc2ccccc2c1-c1nc2cnc(N3CCC4(CC3)Cc3ccccc3[C@H]4N)nc2o1
InChIInChI=1S/C29H27N5O/c1-18-10-11-19-6-2-4-8-21(19)24(18)27-32-23-17-31-28(33-26(23)35-27)34-14-12-29(13-15-34)16-20-7-3-5-9-22(20)25(29)30/h2-11,17,25H,12-16,30H2,1H3/t25-/m1/s1
InChIKeyVRPWISBFDGABQE-RUZDIDTESA-N
XLogP5.59
TPSA81.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.57
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (1S)-1'-[2-(2-methylnaphthalen-1-yl)-[1,3]oxazolo[5,4-d]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine with MolForge

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Related Compounds

(1S)-1'-[2-(1,3,5-trimethylpyrazol-4-yl)-[1,3]oxazolo[5,4-d]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
CID 169100619
(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
(1S)-1'-[6-(2-chlorophenyl)-1,2,4-triazin-3-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
CID 155164169
[3-[(1R)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-5-methylpyrazin-2-yl]methanol;hydrochloride
CID 155774215
(1S)-1'-[8-(2,3-dichlorophenyl)-7-ethylpurin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
CID 169100683
(1R)-1'-methylspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
CID 167047869
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'-(5-chloropyrazin-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
CID 148763181
(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
(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
2-phenyl-5-(4-phenylpiperazin-1-yl)-[1,3]oxazolo[5,4-d]pyrimidine
CID 46259287
(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

Frequently Asked Questions

What is the IUPAC name of (1S)-1'-[2-(2-methylnaphthalen-1-yl)-[1,3]oxazolo[5,4-d]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?
The IUPAC name of (1S)-1'-[2-(2-methylnaphthalen-1-yl)-[1,3]oxazolo[5,4-d]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine (CID 169100503) is (1S)-1'-[2-(2-methylnaphthalen-1-yl)-[1,3]oxazolo[5,4-d]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine.
What is the SMILES notation for (1S)-1'-[2-(2-methylnaphthalen-1-yl)-[1,3]oxazolo[5,4-d]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?
The canonical SMILES for (1S)-1'-[2-(2-methylnaphthalen-1-yl)-[1,3]oxazolo[5,4-d]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine is Cc1ccc2ccccc2c1-c1nc2cnc(N3CCC4(CC3)Cc3ccccc3[C@H]4N)nc2o1.
What is the InChIKey of (1S)-1'-[2-(2-methylnaphthalen-1-yl)-[1,3]oxazolo[5,4-d]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?
The InChIKey is VRPWISBFDGABQE-RUZDIDTESA-N. The full InChI is InChI=1S/C29H27N5O/c1-18-10-11-19-6-2-4-8-21(19)24(18)27-32-23-17-31-28(33-26(23)35-27)34-14-12-29(13-15-34)16-20-7-3-5-9-22(20)25(29)30/h2-11,17,25H,12-16,30H2,1H3/t25-/m1/s1.
What are the key properties of (1S)-1'-[2-(2-methylnaphthalen-1-yl)-[1,3]oxazolo[5,4-d]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?
(1S)-1'-[2-(2-methylnaphthalen-1-yl)-[1,3]oxazolo[5,4-d]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine has a molecular weight of 461.57 g/mol, XLogP of 5.59, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1'-[2-(2-methylnaphthalen-1-yl)-[1,3]oxazolo[5,4-d]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine is sourced from PubChem (CID 169100503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).