5-(4-chloro-2-pyridinyl)-1'-[1-(5-fluoro-2-pyridinyl)ethyl]spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]

C23H22ClFN4O — CID 57400493

IUPAC5-(4-chloro-2-pyridinyl)-1'-[1-(5-fluoro-2-pyridinyl)ethyl]spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]
SMILESCC(c1ccc(F)cn1)N1CCC2(CC1)OC(c1cc(Cl)ccn1)c1cccnc12
InChIInChI=1S/C23H22ClFN4O/c1-15(19-5-4-17(25)14-28-19)29-11-7-23(8-12-29)22-18(3-2-9-27-22)21(30-23)20-13-16(24)6-10-26-20/h2-6,9-10,13-15,21H,7-8,11-12H2,1H3
InChIKeyMUMDCFHGPZGRLJ-UHFFFAOYSA-N
MW424.91 g/mol
LogP4.84
Rot. Bonds3

About 5-(4-chloro-2-pyridinyl)-1'-[1-(5-fluoro-2-pyridinyl)ethyl]spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]

5-(4-chloro-2-pyridinyl)-1'-[1-(5-fluoro-2-pyridinyl)ethyl]spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine] (PubChem CID 57400493) has the molecular formula C23H22ClFN4O and a molecular weight of 424.91 g/mol. Its IUPAC name is 5-(4-chloro-2-pyridinyl)-1'-[1-(5-fluoro-2-pyridinyl)ethyl]spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine].

Molecular Properties

Compound Name5-(4-chloro-2-pyridinyl)-1'-[1-(5-fluoro-2-pyridinyl)ethyl]spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]
PubChem CID57400493
Molecular FormulaC23H22ClFN4O
Molecular Weight424.91 g/mol
Exact Mass424.15
IUPAC Name5-(4-chloro-2-pyridinyl)-1'-[1-(5-fluoro-2-pyridinyl)ethyl]spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]
SMILESCC(c1ccc(F)cn1)N1CCC2(CC1)OC(c1cc(Cl)ccn1)c1cccnc12
InChIInChI=1S/C23H22ClFN4O/c1-15(19-5-4-17(25)14-28-19)29-11-7-23(8-12-29)22-18(3-2-9-27-22)21(30-23)20-13-16(24)6-10-26-20/h2-6,9-10,13-15,21H,7-8,11-12H2,1H3
InChIKeyMUMDCFHGPZGRLJ-UHFFFAOYSA-N
XLogP4.84
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.91
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chloro-2-pyridinyl)-1'-[1-(5-fluoro-2-pyridinyl)ethyl]spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]?
The IUPAC name of 5-(4-chloro-2-pyridinyl)-1'-[1-(5-fluoro-2-pyridinyl)ethyl]spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine] (CID 57400493) is 5-(4-chloro-2-pyridinyl)-1'-[1-(5-fluoro-2-pyridinyl)ethyl]spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine].
What is the SMILES notation for 5-(4-chloro-2-pyridinyl)-1'-[1-(5-fluoro-2-pyridinyl)ethyl]spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]?
The canonical SMILES for 5-(4-chloro-2-pyridinyl)-1'-[1-(5-fluoro-2-pyridinyl)ethyl]spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine] is CC(c1ccc(F)cn1)N1CCC2(CC1)OC(c1cc(Cl)ccn1)c1cccnc12.
What is the InChIKey of 5-(4-chloro-2-pyridinyl)-1'-[1-(5-fluoro-2-pyridinyl)ethyl]spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]?
The InChIKey is MUMDCFHGPZGRLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClFN4O/c1-15(19-5-4-17(25)14-28-19)29-11-7-23(8-12-29)22-18(3-2-9-27-22)21(30-23)20-13-16(24)6-10-26-20/h2-6,9-10,13-15,21H,7-8,11-12H2,1H3.
What are the key properties of 5-(4-chloro-2-pyridinyl)-1'-[1-(5-fluoro-2-pyridinyl)ethyl]spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]?
5-(4-chloro-2-pyridinyl)-1'-[1-(5-fluoro-2-pyridinyl)ethyl]spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine] has a molecular weight of 424.91 g/mol, XLogP of 4.84, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chloro-2-pyridinyl)-1'-[1-(5-fluoro-2-pyridinyl)ethyl]spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine] is sourced from PubChem (CID 57400493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).