(1S)-1'-[8-(difluoromethoxy)imidazo[1,2-a]pyridin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;methane

C22H26F2N4O — CID 157109156

IUPAC(1S)-1'-[8-(difluoromethoxy)imidazo[1,2-a]pyridin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;methane
SMILESC.N[C@@H]1c2ccccc2CC12CCN(c1cc(OC(F)F)c3nccn3c1)CC2
InChIInChI=1S/C21H22F2N4O.CH4/c22-20(23)28-17-11-15(13-27-10-7-25-19(17)27)26-8-5-21(6-9-26)12-14-3-1-2-4-16(14)18(21)24;/h1-4,7,10-11,13,18,20H,5-6,8-9,12,24H2;1H4/t18-;/m1./s1
InChIKeyAGQJSXGQTCLWLR-GMUIIQOCSA-N
MW400.47 g/mol
LogP4.41
Rot. Bonds3

About (1S)-1'-[8-(difluoromethoxy)imidazo[1,2-a]pyridin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;methane

(1S)-1'-[8-(difluoromethoxy)imidazo[1,2-a]pyridin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;methane (PubChem CID 157109156) has the molecular formula C22H26F2N4O and a molecular weight of 400.47 g/mol. Its IUPAC name is (1S)-1'-[8-(difluoromethoxy)imidazo[1,2-a]pyridin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;methane.

Molecular Properties

Compound Name(1S)-1'-[8-(difluoromethoxy)imidazo[1,2-a]pyridin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;methane
PubChem CID157109156
Molecular FormulaC22H26F2N4O
Molecular Weight400.47 g/mol
Exact Mass400.21
IUPAC Name(1S)-1'-[8-(difluoromethoxy)imidazo[1,2-a]pyridin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;methane
SMILESC.N[C@@H]1c2ccccc2CC12CCN(c1cc(OC(F)F)c3nccn3c1)CC2
InChIInChI=1S/C21H22F2N4O.CH4/c22-20(23)28-17-11-15(13-27-10-7-25-19(17)27)26-8-5-21(6-9-26)12-14-3-1-2-4-16(14)18(21)24;/h1-4,7,10-11,13,18,20H,5-6,8-9,12,24H2;1H4/t18-;/m1./s1
InChIKeyAGQJSXGQTCLWLR-GMUIIQOCSA-N
XLogP4.41
TPSA55.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.47
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1S)-1'-[8-(difluoromethoxy)imidazo[1,2-a]pyridin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;methane?
The IUPAC name of (1S)-1'-[8-(difluoromethoxy)imidazo[1,2-a]pyridin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;methane (CID 157109156) is (1S)-1'-[8-(difluoromethoxy)imidazo[1,2-a]pyridin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;methane.
What is the SMILES notation for (1S)-1'-[8-(difluoromethoxy)imidazo[1,2-a]pyridin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;methane?
The canonical SMILES for (1S)-1'-[8-(difluoromethoxy)imidazo[1,2-a]pyridin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;methane is C.N[C@@H]1c2ccccc2CC12CCN(c1cc(OC(F)F)c3nccn3c1)CC2.
What is the InChIKey of (1S)-1'-[8-(difluoromethoxy)imidazo[1,2-a]pyridin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;methane?
The InChIKey is AGQJSXGQTCLWLR-GMUIIQOCSA-N. The full InChI is InChI=1S/C21H22F2N4O.CH4/c22-20(23)28-17-11-15(13-27-10-7-25-19(17)27)26-8-5-21(6-9-26)12-14-3-1-2-4-16(14)18(21)24;/h1-4,7,10-11,13,18,20H,5-6,8-9,12,24H2;1H4/t18-;/m1./s1.
What are the key properties of (1S)-1'-[8-(difluoromethoxy)imidazo[1,2-a]pyridin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;methane?
(1S)-1'-[8-(difluoromethoxy)imidazo[1,2-a]pyridin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;methane has a molecular weight of 400.47 g/mol, XLogP of 4.41, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1'-[8-(difluoromethoxy)imidazo[1,2-a]pyridin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;methane is sourced from PubChem (CID 157109156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).