tert-butyl 4-[5-(4-cyano-2-fluorophenyl)furo[2,3-c]pyridin-2-yl]piperidine-1-carboxylate

C24H24FN3O3 — CID 71736569

IUPACtert-butyl 4-[5-(4-cyano-2-fluorophenyl)furo[2,3-c]pyridin-2-yl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2cc3cc(-c4ccc(C#N)cc4F)ncc3o2)CC1
InChIInChI=1S/C24H24FN3O3/c1-24(2,3)31-23(29)28-8-6-16(7-9-28)21-12-17-11-20(27-14-22(17)30-21)18-5-4-15(13-26)10-19(18)25/h4-5,10-12,14,16H,6-9H2,1-3H3
InChIKeyIGCNETPUQDKPDH-UHFFFAOYSA-N
MW421.47 g/mol
LogP5.62
Rot. Bonds2

About tert-butyl 4-[5-(4-cyano-2-fluorophenyl)furo[2,3-c]pyridin-2-yl]piperidine-1-carboxylate

tert-butyl 4-[5-(4-cyano-2-fluorophenyl)furo[2,3-c]pyridin-2-yl]piperidine-1-carboxylate (PubChem CID 71736569) has the molecular formula C24H24FN3O3 and a molecular weight of 421.47 g/mol. Its IUPAC name is tert-butyl 4-[5-(4-cyano-2-fluorophenyl)furo[2,3-c]pyridin-2-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[5-(4-cyano-2-fluorophenyl)furo[2,3-c]pyridin-2-yl]piperidine-1-carboxylate
PubChem CID71736569
Molecular FormulaC24H24FN3O3
Molecular Weight421.47 g/mol
Exact Mass421.18
IUPAC Nametert-butyl 4-[5-(4-cyano-2-fluorophenyl)furo[2,3-c]pyridin-2-yl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2cc3cc(-c4ccc(C#N)cc4F)ncc3o2)CC1
InChIInChI=1S/C24H24FN3O3/c1-24(2,3)31-23(29)28-8-6-16(7-9-28)21-12-17-11-20(27-14-22(17)30-21)18-5-4-15(13-26)10-19(18)25/h4-5,10-12,14,16H,6-9H2,1-3H3
InChIKeyIGCNETPUQDKPDH-UHFFFAOYSA-N
XLogP5.62
TPSA79.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.47
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[5-(4-cyano-2-fluorophenyl)furo[2,3-c]pyridin-2-yl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[5-(4-cyano-2-fluorophenyl)furo[2,3-c]pyridin-2-yl]piperidine-1-carboxylate (CID 71736569) is tert-butyl 4-[5-(4-cyano-2-fluorophenyl)furo[2,3-c]pyridin-2-yl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[5-(4-cyano-2-fluorophenyl)furo[2,3-c]pyridin-2-yl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[5-(4-cyano-2-fluorophenyl)furo[2,3-c]pyridin-2-yl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(c2cc3cc(-c4ccc(C#N)cc4F)ncc3o2)CC1.
What is the InChIKey of tert-butyl 4-[5-(4-cyano-2-fluorophenyl)furo[2,3-c]pyridin-2-yl]piperidine-1-carboxylate?
The InChIKey is IGCNETPUQDKPDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN3O3/c1-24(2,3)31-23(29)28-8-6-16(7-9-28)21-12-17-11-20(27-14-22(17)30-21)18-5-4-15(13-26)10-19(18)25/h4-5,10-12,14,16H,6-9H2,1-3H3.
What are the key properties of tert-butyl 4-[5-(4-cyano-2-fluorophenyl)furo[2,3-c]pyridin-2-yl]piperidine-1-carboxylate?
tert-butyl 4-[5-(4-cyano-2-fluorophenyl)furo[2,3-c]pyridin-2-yl]piperidine-1-carboxylate has a molecular weight of 421.47 g/mol, XLogP of 5.62, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[5-(4-cyano-2-fluorophenyl)furo[2,3-c]pyridin-2-yl]piperidine-1-carboxylate is sourced from PubChem (CID 71736569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).