2-[[8-[(3,4-difluorophenoxy)methyl]-6-azaspiro[3.4]octan-6-yl]methyl]imidazo[1,2-a]pyridine

C22H23F2N3O — CID 177218998

IUPAC2-[[8-[(3,4-difluorophenoxy)methyl]-6-azaspiro[3.4]octan-6-yl]methyl]imidazo[1,2-a]pyridine
SMILESFc1ccc(OCC2CN(Cc3cn4ccccc4n3)CC23CCC3)cc1F
InChIInChI=1S/C22H23F2N3O/c23-19-6-5-18(10-20(19)24)28-14-16-11-26(15-22(16)7-3-8-22)12-17-13-27-9-2-1-4-21(27)25-17/h1-2,4-6,9-10,13,16H,3,7-8,11-12,14-15H2
InChIKeyAYHGWTWSRCIDQW-UHFFFAOYSA-N
MW383.44 g/mol
LogP4.29
Rot. Bonds5

About 2-[[8-[(3,4-difluorophenoxy)methyl]-6-azaspiro[3.4]octan-6-yl]methyl]imidazo[1,2-a]pyridine

2-[[8-[(3,4-difluorophenoxy)methyl]-6-azaspiro[3.4]octan-6-yl]methyl]imidazo[1,2-a]pyridine (PubChem CID 177218998) has the molecular formula C22H23F2N3O and a molecular weight of 383.44 g/mol. Its IUPAC name is 2-[[8-[(3,4-difluorophenoxy)methyl]-6-azaspiro[3.4]octan-6-yl]methyl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-[[8-[(3,4-difluorophenoxy)methyl]-6-azaspiro[3.4]octan-6-yl]methyl]imidazo[1,2-a]pyridine
PubChem CID177218998
Molecular FormulaC22H23F2N3O
Molecular Weight383.44 g/mol
Exact Mass383.18
IUPAC Name2-[[8-[(3,4-difluorophenoxy)methyl]-6-azaspiro[3.4]octan-6-yl]methyl]imidazo[1,2-a]pyridine
SMILESFc1ccc(OCC2CN(Cc3cn4ccccc4n3)CC23CCC3)cc1F
InChIInChI=1S/C22H23F2N3O/c23-19-6-5-18(10-20(19)24)28-14-16-11-26(15-22(16)7-3-8-22)12-17-13-27-9-2-1-4-21(27)25-17/h1-2,4-6,9-10,13,16H,3,7-8,11-12,14-15H2
InChIKeyAYHGWTWSRCIDQW-UHFFFAOYSA-N
XLogP4.29
TPSA29.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.44
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[8-[(3,4-difluorophenoxy)methyl]-6-azaspiro[3.4]octan-6-yl]methyl]imidazo[1,2-a]pyridine?
The IUPAC name of 2-[[8-[(3,4-difluorophenoxy)methyl]-6-azaspiro[3.4]octan-6-yl]methyl]imidazo[1,2-a]pyridine (CID 177218998) is 2-[[8-[(3,4-difluorophenoxy)methyl]-6-azaspiro[3.4]octan-6-yl]methyl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 2-[[8-[(3,4-difluorophenoxy)methyl]-6-azaspiro[3.4]octan-6-yl]methyl]imidazo[1,2-a]pyridine?
The canonical SMILES for 2-[[8-[(3,4-difluorophenoxy)methyl]-6-azaspiro[3.4]octan-6-yl]methyl]imidazo[1,2-a]pyridine is Fc1ccc(OCC2CN(Cc3cn4ccccc4n3)CC23CCC3)cc1F.
What is the InChIKey of 2-[[8-[(3,4-difluorophenoxy)methyl]-6-azaspiro[3.4]octan-6-yl]methyl]imidazo[1,2-a]pyridine?
The InChIKey is AYHGWTWSRCIDQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F2N3O/c23-19-6-5-18(10-20(19)24)28-14-16-11-26(15-22(16)7-3-8-22)12-17-13-27-9-2-1-4-21(27)25-17/h1-2,4-6,9-10,13,16H,3,7-8,11-12,14-15H2.
What are the key properties of 2-[[8-[(3,4-difluorophenoxy)methyl]-6-azaspiro[3.4]octan-6-yl]methyl]imidazo[1,2-a]pyridine?
2-[[8-[(3,4-difluorophenoxy)methyl]-6-azaspiro[3.4]octan-6-yl]methyl]imidazo[1,2-a]pyridine has a molecular weight of 383.44 g/mol, XLogP of 4.29, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[8-[(3,4-difluorophenoxy)methyl]-6-azaspiro[3.4]octan-6-yl]methyl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 177218998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).