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

C24H29N5O2 — CID 166652981

IUPAC[1-[(2R)-1'-(4-cyano-6-methylpyrimidin-2-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-2-yl]-2-methylpropan-2-yl] carbamate
SMILESCc1cc(C#N)nc(N2CCC3(CC2)c2ccccc2C[C@@H]3CC(C)(C)OC(N)=O)n1
InChIInChI=1S/C24H29N5O2/c1-16-12-19(15-25)28-22(27-16)29-10-8-24(9-11-29)18(14-23(2,3)31-21(26)30)13-17-6-4-5-7-20(17)24/h4-7,12,18H,8-11,13-14H2,1-3H3,(H2,26,30)/t18-/m1/s1
InChIKeyWCMOYTVWEXOEIE-GOSISDBHSA-N
MW419.53 g/mol
LogP3.63
Rot. Bonds4

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

[1-[(2R)-1'-(4-cyano-6-methylpyrimidin-2-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-2-yl]-2-methylpropan-2-yl] carbamate (PubChem CID 166652981) has the molecular formula C24H29N5O2 and a molecular weight of 419.53 g/mol. Its IUPAC name is [1-[(2R)-1'-(4-cyano-6-methylpyrimidin-2-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-2-yl]-2-methylpropan-2-yl] carbamate.

Molecular Properties

Compound Name[1-[(2R)-1'-(4-cyano-6-methylpyrimidin-2-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-2-yl]-2-methylpropan-2-yl] carbamate
PubChem CID166652981
Molecular FormulaC24H29N5O2
Molecular Weight419.53 g/mol
Exact Mass419.23
IUPAC Name[1-[(2R)-1'-(4-cyano-6-methylpyrimidin-2-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-2-yl]-2-methylpropan-2-yl] carbamate
SMILESCc1cc(C#N)nc(N2CCC3(CC2)c2ccccc2C[C@@H]3CC(C)(C)OC(N)=O)n1
InChIInChI=1S/C24H29N5O2/c1-16-12-19(15-25)28-22(27-16)29-10-8-24(9-11-29)18(14-23(2,3)31-21(26)30)13-17-6-4-5-7-20(17)24/h4-7,12,18H,8-11,13-14H2,1-3H3,(H2,26,30)/t18-/m1/s1
InChIKeyWCMOYTVWEXOEIE-GOSISDBHSA-N
XLogP3.63
TPSA105.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-[(2R)-1'-(4-cyano-6-methylpyrimidin-2-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-2-yl]-2-methylpropan-2-yl] carbamate?
The IUPAC name of [1-[(2R)-1'-(4-cyano-6-methylpyrimidin-2-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-2-yl]-2-methylpropan-2-yl] carbamate (CID 166652981) is [1-[(2R)-1'-(4-cyano-6-methylpyrimidin-2-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-2-yl]-2-methylpropan-2-yl] carbamate.
What is the SMILES notation for [1-[(2R)-1'-(4-cyano-6-methylpyrimidin-2-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-2-yl]-2-methylpropan-2-yl] carbamate?
The canonical SMILES for [1-[(2R)-1'-(4-cyano-6-methylpyrimidin-2-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-2-yl]-2-methylpropan-2-yl] carbamate is Cc1cc(C#N)nc(N2CCC3(CC2)c2ccccc2C[C@@H]3CC(C)(C)OC(N)=O)n1.
What is the InChIKey of [1-[(2R)-1'-(4-cyano-6-methylpyrimidin-2-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-2-yl]-2-methylpropan-2-yl] carbamate?
The InChIKey is WCMOYTVWEXOEIE-GOSISDBHSA-N. The full InChI is InChI=1S/C24H29N5O2/c1-16-12-19(15-25)28-22(27-16)29-10-8-24(9-11-29)18(14-23(2,3)31-21(26)30)13-17-6-4-5-7-20(17)24/h4-7,12,18H,8-11,13-14H2,1-3H3,(H2,26,30)/t18-/m1/s1.
What are the key properties of [1-[(2R)-1'-(4-cyano-6-methylpyrimidin-2-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-2-yl]-2-methylpropan-2-yl] carbamate?
[1-[(2R)-1'-(4-cyano-6-methylpyrimidin-2-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-2-yl]-2-methylpropan-2-yl] carbamate has a molecular weight of 419.53 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2R)-1'-(4-cyano-6-methylpyrimidin-2-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-2-yl]-2-methylpropan-2-yl] carbamate is sourced from PubChem (CID 166652981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).