tert-butyl 2-[5-(5-cyano-2-pyridinyl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonane-7-carboxylate

C27H32N4O2 — CID 77286814

IUPACtert-butyl 2-[5-(5-cyano-2-pyridinyl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonane-7-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CC1)CN(C1CCc3cc(-c4ccc(C#N)cn4)ccc31)C2
InChIInChI=1S/C27H32N4O2/c1-26(2,3)33-25(32)30-12-10-27(11-13-30)17-31(18-27)24-9-6-20-14-21(5-7-22(20)24)23-8-4-19(15-28)16-29-23/h4-5,7-8,14,16,24H,6,9-13,17-18H2,1-3H3
InChIKeyZBYZFSBSPSJBOY-UHFFFAOYSA-N
MW444.58 g/mol
LogP4.94
Rot. Bonds2

About tert-butyl 2-[5-(5-cyano-2-pyridinyl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonane-7-carboxylate

tert-butyl 2-[5-(5-cyano-2-pyridinyl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonane-7-carboxylate (PubChem CID 77286814) has the molecular formula C27H32N4O2 and a molecular weight of 444.58 g/mol. Its IUPAC name is tert-butyl 2-[5-(5-cyano-2-pyridinyl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonane-7-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[5-(5-cyano-2-pyridinyl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonane-7-carboxylate
PubChem CID77286814
Molecular FormulaC27H32N4O2
Molecular Weight444.58 g/mol
Exact Mass444.25
IUPAC Nametert-butyl 2-[5-(5-cyano-2-pyridinyl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonane-7-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CC1)CN(C1CCc3cc(-c4ccc(C#N)cn4)ccc31)C2
InChIInChI=1S/C27H32N4O2/c1-26(2,3)33-25(32)30-12-10-27(11-13-30)17-31(18-27)24-9-6-20-14-21(5-7-22(20)24)23-8-4-19(15-28)16-29-23/h4-5,7-8,14,16,24H,6,9-13,17-18H2,1-3H3
InChIKeyZBYZFSBSPSJBOY-UHFFFAOYSA-N
XLogP4.94
TPSA69.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.58
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze tert-butyl 2-[5-(5-cyano-2-pyridinyl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonane-7-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

5-[1-[7-[2-(5-methoxy-2-pyridinyl)acetyl]-2,7-diazaspiro[3.5]nonan-2-yl]-2,3-dihydro-1H-inden-5-yl]pyridine-2-carbonitrile
CID 53390281
5-[(1R)-1-(2,7-diazaspiro[3.5]nonan-2-yl)-2,3-dihydro-1H-inden-5-yl]pyrazine-2-carboxylic acid;dihydrochloride
CID 158811645
tert-butyl 2-(4-cyanophenyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxylate
CID 66817658
tert-butyl 4-(5-cyano-2-pyridinyl)-4-fluoropiperidine-1-carboxylate;6-(4-fluoropiperidin-4-yl)pyridine-3-carbonitrile
CID 159932461
tert-butyl 2-(6-cyano-3-pyridinyl)-2,7-diazaspiro[3.5]nonane-7-carboxylate
CID 155770085
tert-butyl (3R)-3-[(5-cyano-2-pyridinyl)amino]pyrrolidine-1-carboxylate
CID 66884944
benzyl 2-(5-methyl-2,3-dihydro-1H-inden-1-yl)-2,7-diazaspiro[3.5]nonane-7-carboxylate
CID 123455866
tert-butyl 4-[(5-cyano-2-pyridinyl)methylidene]piperidine-1-carboxylate
CID 163385544
tert-butyl 3-[(5-cyano-2-pyridinyl)-methylamino]azetidine-1-carboxylate
CID 169219644
tert-butyl 7-[5-(5-amino-2-pyridinyl)pyrazolo[1,5-a]pyridin-3-yl]-2-azaspiro[3.5]nonane-2-carboxylate
CID 163232175
tert-butyl 7-(4-cyanophenyl)sulfonyl-2,7-diazaspiro[3.5]nonane-2-carboxylate
CID 156856759
tert-butyl 2-[[6-(3-cyanophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]-7-azaspiro[3.5]nonane-7-carboxylate
CID 66748173

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[5-(5-cyano-2-pyridinyl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonane-7-carboxylate?
The IUPAC name of tert-butyl 2-[5-(5-cyano-2-pyridinyl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonane-7-carboxylate (CID 77286814) is tert-butyl 2-[5-(5-cyano-2-pyridinyl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonane-7-carboxylate.
What is the SMILES notation for tert-butyl 2-[5-(5-cyano-2-pyridinyl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonane-7-carboxylate?
The canonical SMILES for tert-butyl 2-[5-(5-cyano-2-pyridinyl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonane-7-carboxylate is CC(C)(C)OC(=O)N1CCC2(CC1)CN(C1CCc3cc(-c4ccc(C#N)cn4)ccc31)C2.
What is the InChIKey of tert-butyl 2-[5-(5-cyano-2-pyridinyl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonane-7-carboxylate?
The InChIKey is ZBYZFSBSPSJBOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O2/c1-26(2,3)33-25(32)30-12-10-27(11-13-30)17-31(18-27)24-9-6-20-14-21(5-7-22(20)24)23-8-4-19(15-28)16-29-23/h4-5,7-8,14,16,24H,6,9-13,17-18H2,1-3H3.
What are the key properties of tert-butyl 2-[5-(5-cyano-2-pyridinyl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonane-7-carboxylate?
tert-butyl 2-[5-(5-cyano-2-pyridinyl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonane-7-carboxylate has a molecular weight of 444.58 g/mol, XLogP of 4.94, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[5-(5-cyano-2-pyridinyl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonane-7-carboxylate is sourced from PubChem (CID 77286814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).