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

C22H24FN3O3 — CID 71736719

IUPACtert-butyl 4-[5-(3-fluoro-4-pyridinyl)furo[2,3-c]pyridin-2-yl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2cc3cc(-c4ccncc4F)ncc3o2)CC1
InChIInChI=1S/C22H24FN3O3/c1-22(2,3)29-21(27)26-8-5-14(6-9-26)19-11-15-10-18(25-13-20(15)28-19)16-4-7-24-12-17(16)23/h4,7,10-14H,5-6,8-9H2,1-3H3
InChIKeyMJXOJGOUPXWJLB-UHFFFAOYSA-N
MW397.45 g/mol
LogP5.14
Rot. Bonds2

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

tert-butyl 4-[5-(3-fluoro-4-pyridinyl)furo[2,3-c]pyridin-2-yl]piperidine-1-carboxylate (PubChem CID 71736719) has the molecular formula C22H24FN3O3 and a molecular weight of 397.45 g/mol. Its IUPAC name is tert-butyl 4-[5-(3-fluoro-4-pyridinyl)furo[2,3-c]pyridin-2-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[5-(3-fluoro-4-pyridinyl)furo[2,3-c]pyridin-2-yl]piperidine-1-carboxylate
PubChem CID71736719
Molecular FormulaC22H24FN3O3
Molecular Weight397.45 g/mol
Exact Mass397.18
IUPAC Nametert-butyl 4-[5-(3-fluoro-4-pyridinyl)furo[2,3-c]pyridin-2-yl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2cc3cc(-c4ccncc4F)ncc3o2)CC1
InChIInChI=1S/C22H24FN3O3/c1-22(2,3)29-21(27)26-8-5-14(6-9-26)19-11-15-10-18(25-13-20(15)28-19)16-4-7-24-12-17(16)23/h4,7,10-14H,5-6,8-9H2,1-3H3
InChIKeyMJXOJGOUPXWJLB-UHFFFAOYSA-N
XLogP5.14
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.45
LogP ≤ 55.14
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-(3-fluoro-4-pyridinyl)furo[2,3-c]pyridin-2-yl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[5-(3-fluoro-4-pyridinyl)furo[2,3-c]pyridin-2-yl]piperidine-1-carboxylate (CID 71736719) is tert-butyl 4-[5-(3-fluoro-4-pyridinyl)furo[2,3-c]pyridin-2-yl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[5-(3-fluoro-4-pyridinyl)furo[2,3-c]pyridin-2-yl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[5-(3-fluoro-4-pyridinyl)furo[2,3-c]pyridin-2-yl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(c2cc3cc(-c4ccncc4F)ncc3o2)CC1.
What is the InChIKey of tert-butyl 4-[5-(3-fluoro-4-pyridinyl)furo[2,3-c]pyridin-2-yl]piperidine-1-carboxylate?
The InChIKey is MJXOJGOUPXWJLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O3/c1-22(2,3)29-21(27)26-8-5-14(6-9-26)19-11-15-10-18(25-13-20(15)28-19)16-4-7-24-12-17(16)23/h4,7,10-14H,5-6,8-9H2,1-3H3.
What are the key properties of tert-butyl 4-[5-(3-fluoro-4-pyridinyl)furo[2,3-c]pyridin-2-yl]piperidine-1-carboxylate?
tert-butyl 4-[5-(3-fluoro-4-pyridinyl)furo[2,3-c]pyridin-2-yl]piperidine-1-carboxylate has a molecular weight of 397.45 g/mol, XLogP of 5.14, 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-(3-fluoro-4-pyridinyl)furo[2,3-c]pyridin-2-yl]piperidine-1-carboxylate is sourced from PubChem (CID 71736719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).