(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

C24H27N7O — CID 169100619

IUPAC(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
SMILESCc1nn(C)c(C)c1-c1nc2cnc(N3CCC4(CC3)Cc3ccccc3[C@H]4N)nc2o1
InChIInChI=1S/C24H27N7O/c1-14-19(15(2)30(3)29-14)22-27-18-13-26-23(28-21(18)32-22)31-10-8-24(9-11-31)12-16-6-4-5-7-17(16)20(24)25/h4-7,13,20H,8-12,25H2,1-3H3/t20-/m1/s1
InChIKeyAPPCVYYXJDRWGB-HXUWFJFHSA-N
MW429.53 g/mol
LogP3.48
Rot. Bonds2

About (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

(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 (PubChem CID 169100619) has the molecular formula C24H27N7O and a molecular weight of 429.53 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID169100619
Molecular FormulaC24H27N7O
Molecular Weight429.53 g/mol
Exact Mass429.23
IUPAC Name(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
SMILESCc1nn(C)c(C)c1-c1nc2cnc(N3CCC4(CC3)Cc3ccccc3[C@H]4N)nc2o1
InChIInChI=1S/C24H27N7O/c1-14-19(15(2)30(3)29-14)22-27-18-13-26-23(28-21(18)32-22)31-10-8-24(9-11-31)12-16-6-4-5-7-17(16)20(24)25/h4-7,13,20H,8-12,25H2,1-3H3/t20-/m1/s1
InChIKeyAPPCVYYXJDRWGB-HXUWFJFHSA-N
XLogP3.48
TPSA98.89 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.53
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (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 with MolForge

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Related Compounds

(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
(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
[3-[(1R)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-5-methylpyrazin-2-yl]methanol;hydrochloride
CID 155774215
(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'-[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'-(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'-(8-iodo-7-methylimidazo[1,2-c]pyrimidin-5-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
CID 174291820
(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
6-amino-2-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-5-(2,3-dichlorophenyl)pyrimidine-4-carboxamide
CID 155095692

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is Cc1nn(C)c(C)c1-c1nc2cnc(N3CCC4(CC3)Cc3ccccc3[C@H]4N)nc2o1.
What is the InChIKey of (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?
The InChIKey is APPCVYYXJDRWGB-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H27N7O/c1-14-19(15(2)30(3)29-14)22-27-18-13-26-23(28-21(18)32-22)31-10-8-24(9-11-31)12-16-6-4-5-7-17(16)20(24)25/h4-7,13,20H,8-12,25H2,1-3H3/t20-/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 429.53 g/mol, XLogP of 3.48, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 169100619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).