1'-pyridin-2-ylspiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]

C16H17N3O — CID 175717906

IUPAC1'-pyridin-2-ylspiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]
SMILESc1ccc(N2CCC3(CC2)OCc2cccnc23)nc1
InChIInChI=1S/C16H17N3O/c1-2-8-17-14(5-1)19-10-6-16(7-11-19)15-13(12-20-16)4-3-9-18-15/h1-5,8-9H,6-7,10-12H2
InChIKeyALSIVVKEJMFSNH-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.50
Rot. Bonds1

About 1'-pyridin-2-ylspiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]

1'-pyridin-2-ylspiro[5H-furo[3,4-b]pyridine-7,4'-piperidine] (PubChem CID 175717906) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 1'-pyridin-2-ylspiro[5H-furo[3,4-b]pyridine-7,4'-piperidine].

Molecular Properties

Compound Name1'-pyridin-2-ylspiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]
PubChem CID175717906
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name1'-pyridin-2-ylspiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]
SMILESc1ccc(N2CCC3(CC2)OCc2cccnc23)nc1
InChIInChI=1S/C16H17N3O/c1-2-8-17-14(5-1)19-10-6-16(7-11-19)15-13(12-20-16)4-3-9-18-15/h1-5,8-9H,6-7,10-12H2
InChIKeyALSIVVKEJMFSNH-UHFFFAOYSA-N
XLogP2.50
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1'-pyridin-2-ylspiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]?
The IUPAC name of 1'-pyridin-2-ylspiro[5H-furo[3,4-b]pyridine-7,4'-piperidine] (CID 175717906) is 1'-pyridin-2-ylspiro[5H-furo[3,4-b]pyridine-7,4'-piperidine].
What is the SMILES notation for 1'-pyridin-2-ylspiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]?
The canonical SMILES for 1'-pyridin-2-ylspiro[5H-furo[3,4-b]pyridine-7,4'-piperidine] is c1ccc(N2CCC3(CC2)OCc2cccnc23)nc1.
What is the InChIKey of 1'-pyridin-2-ylspiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]?
The InChIKey is ALSIVVKEJMFSNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-2-8-17-14(5-1)19-10-6-16(7-11-19)15-13(12-20-16)4-3-9-18-15/h1-5,8-9H,6-7,10-12H2.
What are the key properties of 1'-pyridin-2-ylspiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]?
1'-pyridin-2-ylspiro[5H-furo[3,4-b]pyridine-7,4'-piperidine] has a molecular weight of 267.33 g/mol, XLogP of 2.50, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-pyridin-2-ylspiro[5H-furo[3,4-b]pyridine-7,4'-piperidine] is sourced from PubChem (CID 175717906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).