tert-butyl N-[(2R)-1'-(4-cyano-6-methylpyrimidin-2-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-2-yl]carbamate

C24H29N5O2 — CID 156806036

IUPACtert-butyl N-[(2R)-1'-(4-cyano-6-methylpyrimidin-2-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-2-yl]carbamate
SMILESCc1cc(C#N)nc(N2CCC3(CC2)c2ccccc2C[C@H]3NC(=O)OC(C)(C)C)n1
InChIInChI=1S/C24H29N5O2/c1-16-13-18(15-25)27-21(26-16)29-11-9-24(10-12-29)19-8-6-5-7-17(19)14-20(24)28-22(30)31-23(2,3)4/h5-8,13,20H,9-12,14H2,1-4H3,(H,28,30)/t20-/m1/s1
InChIKeyDULBTKUFLLWJOA-HXUWFJFHSA-N
MW419.53 g/mol
LogP3.64
Rot. Bonds2

About tert-butyl N-[(2R)-1'-(4-cyano-6-methylpyrimidin-2-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-2-yl]carbamate

tert-butyl N-[(2R)-1'-(4-cyano-6-methylpyrimidin-2-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-2-yl]carbamate (PubChem CID 156806036) has the molecular formula C24H29N5O2 and a molecular weight of 419.53 g/mol. Its IUPAC name is tert-butyl N-[(2R)-1'-(4-cyano-6-methylpyrimidin-2-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R)-1'-(4-cyano-6-methylpyrimidin-2-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-2-yl]carbamate
PubChem CID156806036
Molecular FormulaC24H29N5O2
Molecular Weight419.53 g/mol
Exact Mass419.23
IUPAC Nametert-butyl N-[(2R)-1'-(4-cyano-6-methylpyrimidin-2-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-2-yl]carbamate
SMILESCc1cc(C#N)nc(N2CCC3(CC2)c2ccccc2C[C@H]3NC(=O)OC(C)(C)C)n1
InChIInChI=1S/C24H29N5O2/c1-16-13-18(15-25)27-21(26-16)29-11-9-24(10-12-29)19-8-6-5-7-17(19)14-20(24)28-22(30)31-23(2,3)4/h5-8,13,20H,9-12,14H2,1-4H3,(H,28,30)/t20-/m1/s1
InChIKeyDULBTKUFLLWJOA-HXUWFJFHSA-N
XLogP3.64
TPSA91.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze tert-butyl N-[(2R)-1'-(4-cyano-6-methylpyrimidin-2-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-2-yl]carbamate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R)-1'-(4-cyano-6-methylpyrimidin-2-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2R)-1'-(4-cyano-6-methylpyrimidin-2-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-2-yl]carbamate (CID 156806036) is tert-butyl N-[(2R)-1'-(4-cyano-6-methylpyrimidin-2-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2R)-1'-(4-cyano-6-methylpyrimidin-2-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2R)-1'-(4-cyano-6-methylpyrimidin-2-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-2-yl]carbamate is Cc1cc(C#N)nc(N2CCC3(CC2)c2ccccc2C[C@H]3NC(=O)OC(C)(C)C)n1.
What is the InChIKey of tert-butyl N-[(2R)-1'-(4-cyano-6-methylpyrimidin-2-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-2-yl]carbamate?
The InChIKey is DULBTKUFLLWJOA-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H29N5O2/c1-16-13-18(15-25)27-21(26-16)29-11-9-24(10-12-29)19-8-6-5-7-17(19)14-20(24)28-22(30)31-23(2,3)4/h5-8,13,20H,9-12,14H2,1-4H3,(H,28,30)/t20-/m1/s1.
What are the key properties of tert-butyl N-[(2R)-1'-(4-cyano-6-methylpyrimidin-2-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-2-yl]carbamate?
tert-butyl N-[(2R)-1'-(4-cyano-6-methylpyrimidin-2-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-2-yl]carbamate has a molecular weight of 419.53 g/mol, XLogP of 3.64, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R)-1'-(4-cyano-6-methylpyrimidin-2-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-2-yl]carbamate is sourced from PubChem (CID 156806036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).