tert-butyl (3R)-3-[[3-[2-[4-(5-cyano-1-methylpyrazol-4-yl)phenyl]ethenyl]-2-pyridinyl]amino]piperidine-1-carboxylate

C28H32N6O2 — CID 152648484

IUPACtert-butyl (3R)-3-[[3-[2-[4-(5-cyano-1-methylpyrazol-4-yl)phenyl]ethenyl]-2-pyridinyl]amino]piperidine-1-carboxylate
SMILESCn1ncc(-c2ccc(C=Cc3cccnc3N[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)cc2)c1C#N
InChIInChI=1S/C28H32N6O2/c1-28(2,3)36-27(35)34-16-6-8-23(19-34)32-26-22(7-5-15-30-26)14-11-20-9-12-21(13-10-20)24-18-31-33(4)25(24)17-29/h5,7,9-15,18,23H,6,8,16,19H2,1-4H3,(H,30,32)/t23-/m1/s1
InChIKeyZHBBGIMDASJIIJ-HSZRJFAPSA-N
MW484.60 g/mol
LogP5.34
Rot. Bonds5

About tert-butyl (3R)-3-[[3-[2-[4-(5-cyano-1-methylpyrazol-4-yl)phenyl]ethenyl]-2-pyridinyl]amino]piperidine-1-carboxylate

tert-butyl (3R)-3-[[3-[2-[4-(5-cyano-1-methylpyrazol-4-yl)phenyl]ethenyl]-2-pyridinyl]amino]piperidine-1-carboxylate (PubChem CID 152648484) has the molecular formula C28H32N6O2 and a molecular weight of 484.60 g/mol. Its IUPAC name is tert-butyl (3R)-3-[[3-[2-[4-(5-cyano-1-methylpyrazol-4-yl)phenyl]ethenyl]-2-pyridinyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R)-3-[[3-[2-[4-(5-cyano-1-methylpyrazol-4-yl)phenyl]ethenyl]-2-pyridinyl]amino]piperidine-1-carboxylate
PubChem CID152648484
Molecular FormulaC28H32N6O2
Molecular Weight484.60 g/mol
Exact Mass484.26
IUPAC Nametert-butyl (3R)-3-[[3-[2-[4-(5-cyano-1-methylpyrazol-4-yl)phenyl]ethenyl]-2-pyridinyl]amino]piperidine-1-carboxylate
SMILESCn1ncc(-c2ccc(C=Cc3cccnc3N[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)cc2)c1C#N
InChIInChI=1S/C28H32N6O2/c1-28(2,3)36-27(35)34-16-6-8-23(19-34)32-26-22(7-5-15-30-26)14-11-20-9-12-21(13-10-20)24-18-31-33(4)25(24)17-29/h5,7,9-15,18,23H,6,8,16,19H2,1-4H3,(H,30,32)/t23-/m1/s1
InChIKeyZHBBGIMDASJIIJ-HSZRJFAPSA-N
XLogP5.34
TPSA96.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.60
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze tert-butyl (3R)-3-[[3-[2-[4-(5-cyano-1-methylpyrazol-4-yl)phenyl]ethenyl]-2-pyridinyl]amino]piperidine-1-carboxylate with MolForge

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Related Compounds

tert-butyl (3S)-3-[(3-cyano-2-pyridinyl)amino]pyrrolidine-1-carboxylate
CID 71629238
tert-butyl (3R)-3-[(5-cyano-2-pyridinyl)amino]pyrrolidine-1-carboxylate
CID 66884944
tert-butyl (3R)-3-anilinopiperidine-1-carboxylate
CID 34179257
tert-butyl 3-(5-cyano-1-methylpyrazol-4-yl)azetidine-1-carboxylate
CID 168981904
tert-butyl (3R)-3-[(3,5-dimethyl-2-pyridinyl)amino]piperidine-1-carboxylate
CID 140933973
tert-butyl (3R)-3-[(3,6-dimethyl-2-pyridinyl)amino]piperidine-1-carboxylate
CID 140933931
tert-butyl (3S)-3-[(3-amino-6-pyrazolo[1,5-a]pyridin-3-yl-2-pyridinyl)amino]piperidine-1-carboxylate
CID 52933663
tert-butyl 3-[(5-bromo-1-methylpyrazol-4-yl)methylamino]piperidine-1-carboxylate
CID 138621940
tert-butyl (3S)-3-[(3-chloroquinoxalin-2-yl)amino]piperidine-1-carboxylate
CID 71630538
tert-butyl (3S)-3-(pyrimidin-2-ylamino)pyrrolidine-1-carboxylate
CID 71301820
tert-butyl (3S)-3-(2-bromoanilino)piperidine-1-carboxylate
CID 97056734
tert-butyl (3R)-3-[[5-fluoro-6-(2-methyl-4-pyridinyl)-2-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 140877061

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-3-[[3-[2-[4-(5-cyano-1-methylpyrazol-4-yl)phenyl]ethenyl]-2-pyridinyl]amino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl (3R)-3-[[3-[2-[4-(5-cyano-1-methylpyrazol-4-yl)phenyl]ethenyl]-2-pyridinyl]amino]piperidine-1-carboxylate (CID 152648484) is tert-butyl (3R)-3-[[3-[2-[4-(5-cyano-1-methylpyrazol-4-yl)phenyl]ethenyl]-2-pyridinyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3R)-3-[[3-[2-[4-(5-cyano-1-methylpyrazol-4-yl)phenyl]ethenyl]-2-pyridinyl]amino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (3R)-3-[[3-[2-[4-(5-cyano-1-methylpyrazol-4-yl)phenyl]ethenyl]-2-pyridinyl]amino]piperidine-1-carboxylate is Cn1ncc(-c2ccc(C=Cc3cccnc3N[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)cc2)c1C#N.
What is the InChIKey of tert-butyl (3R)-3-[[3-[2-[4-(5-cyano-1-methylpyrazol-4-yl)phenyl]ethenyl]-2-pyridinyl]amino]piperidine-1-carboxylate?
The InChIKey is ZHBBGIMDASJIIJ-HSZRJFAPSA-N. The full InChI is InChI=1S/C28H32N6O2/c1-28(2,3)36-27(35)34-16-6-8-23(19-34)32-26-22(7-5-15-30-26)14-11-20-9-12-21(13-10-20)24-18-31-33(4)25(24)17-29/h5,7,9-15,18,23H,6,8,16,19H2,1-4H3,(H,30,32)/t23-/m1/s1.
What are the key properties of tert-butyl (3R)-3-[[3-[2-[4-(5-cyano-1-methylpyrazol-4-yl)phenyl]ethenyl]-2-pyridinyl]amino]piperidine-1-carboxylate?
tert-butyl (3R)-3-[[3-[2-[4-(5-cyano-1-methylpyrazol-4-yl)phenyl]ethenyl]-2-pyridinyl]amino]piperidine-1-carboxylate has a molecular weight of 484.60 g/mol, XLogP of 5.34, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-3-[[3-[2-[4-(5-cyano-1-methylpyrazol-4-yl)phenyl]ethenyl]-2-pyridinyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 152648484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).