1-[2-(3,3-difluoroazetidin-1-yl)-3-pyridinyl]-3-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)propan-2-amine

C25H32F2N4O — CID 175883531

IUPAC1-[2-(3,3-difluoroazetidin-1-yl)-3-pyridinyl]-3-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)propan-2-amine
SMILESNC(Cc1cccnc1N1CC(F)(F)C1)CC1(c2ccccn2)CCOC2(CCCC2)C1
InChIInChI=1S/C25H32F2N4O/c26-25(27)17-31(18-25)22-19(6-5-12-30-22)14-20(28)15-23(21-7-1-4-11-29-21)10-13-32-24(16-23)8-2-3-9-24/h1,4-7,11-12,20H,2-3,8-10,13-18,28H2
InChIKeyFXVIOABWJLCXNH-UHFFFAOYSA-N
MW442.55 g/mol
LogP4.25
Rot. Bonds6

About 1-[2-(3,3-difluoroazetidin-1-yl)-3-pyridinyl]-3-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)propan-2-amine

1-[2-(3,3-difluoroazetidin-1-yl)-3-pyridinyl]-3-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)propan-2-amine (PubChem CID 175883531) has the molecular formula C25H32F2N4O and a molecular weight of 442.55 g/mol. Its IUPAC name is 1-[2-(3,3-difluoroazetidin-1-yl)-3-pyridinyl]-3-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)propan-2-amine.

Molecular Properties

Compound Name1-[2-(3,3-difluoroazetidin-1-yl)-3-pyridinyl]-3-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)propan-2-amine
PubChem CID175883531
Molecular FormulaC25H32F2N4O
Molecular Weight442.55 g/mol
Exact Mass442.25
IUPAC Name1-[2-(3,3-difluoroazetidin-1-yl)-3-pyridinyl]-3-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)propan-2-amine
SMILESNC(Cc1cccnc1N1CC(F)(F)C1)CC1(c2ccccn2)CCOC2(CCCC2)C1
InChIInChI=1S/C25H32F2N4O/c26-25(27)17-31(18-25)22-19(6-5-12-30-22)14-20(28)15-23(21-7-1-4-11-29-21)10-13-32-24(16-23)8-2-3-9-24/h1,4-7,11-12,20H,2-3,8-10,13-18,28H2
InChIKeyFXVIOABWJLCXNH-UHFFFAOYSA-N
XLogP4.25
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.55
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[2-(3,3-difluoroazetidin-1-yl)-3-pyridinyl]-3-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)propan-2-amine with MolForge

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Launch Full Analysis

Related Compounds

1-N-[4-[6-[(2,2-dimethyloxan-4-yl)methylamino]-3-(trifluoromethyl)pyridin-2-yl]-3-fluoropyridin-2-yl]-4-N-[(2R)-1-methoxypropan-2-yl]cyclohexane-1,4-diamine
CID 86766526
2-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]-N-(pyrimidin-4-ylmethyl)ethanamine
CID 72712368
1-[2-(9-Pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)ethyl]-4-[6-(trifluoromethyl)-2-pyridinyl]piperazine
CID 172313122
1-[2-(4-Pyridin-2-yloxan-4-yl)ethyl]-4-[6-(trifluoromethyl)-2-pyridinyl]piperazine
CID 172313139
trans-3-((S*)-pyridin-2-yl{[5-(trifluoromethyl)pyridin-2-yl]amino}methyl)cyclobutanol
CID 91766190
trans-3-((S*)-pyridin-2-yl{[3-(trifluoromethyl)pyridin-2-yl]amino}methyl)cyclobutanol
CID 91773794
6-[[(1S,2S)-2-(5,5-difluoro-5-pyridin-2-ylpentoxy)cyclopentyl]methyl]-4-methylpyridin-2-amine
CID 58036818
1-[6-[2-(Oxan-4-ylmethyl)-4-pyridinyl]-4-(trifluoromethyl)-2-pyridinyl]piperazine
CID 58229561
4-(((2'-((trans-4-aminocyclohexyl)amino)-5'-fluoro-[2,4'-bipyridin]-6-yl)amino)methyl)tetrahydro-2H-pyran-4-carbonitrile
CID 60141559
N-[(2,2-dimethyloxan-4-yl)methyl]-6-(2-fluoro-4-pyridinyl)pyridin-2-amine
CID 66954708
6-(2-fluoro-4-pyridinyl)-N-(6-oxaspiro[2.5]octan-2-yl)pyridin-2-amine
CID 66955270
5-fluoro-N-(6-oxaspiro[2.5]octan-2-yl)-6-pyridin-4-ylpyridin-2-amine
CID 66955271

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,3-difluoroazetidin-1-yl)-3-pyridinyl]-3-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)propan-2-amine?
The IUPAC name of 1-[2-(3,3-difluoroazetidin-1-yl)-3-pyridinyl]-3-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)propan-2-amine (CID 175883531) is 1-[2-(3,3-difluoroazetidin-1-yl)-3-pyridinyl]-3-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)propan-2-amine.
What is the SMILES notation for 1-[2-(3,3-difluoroazetidin-1-yl)-3-pyridinyl]-3-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)propan-2-amine?
The canonical SMILES for 1-[2-(3,3-difluoroazetidin-1-yl)-3-pyridinyl]-3-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)propan-2-amine is NC(Cc1cccnc1N1CC(F)(F)C1)CC1(c2ccccn2)CCOC2(CCCC2)C1.
What is the InChIKey of 1-[2-(3,3-difluoroazetidin-1-yl)-3-pyridinyl]-3-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)propan-2-amine?
The InChIKey is FXVIOABWJLCXNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32F2N4O/c26-25(27)17-31(18-25)22-19(6-5-12-30-22)14-20(28)15-23(21-7-1-4-11-29-21)10-13-32-24(16-23)8-2-3-9-24/h1,4-7,11-12,20H,2-3,8-10,13-18,28H2.
What are the key properties of 1-[2-(3,3-difluoroazetidin-1-yl)-3-pyridinyl]-3-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)propan-2-amine?
1-[2-(3,3-difluoroazetidin-1-yl)-3-pyridinyl]-3-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)propan-2-amine has a molecular weight of 442.55 g/mol, XLogP of 4.25, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,3-difluoroazetidin-1-yl)-3-pyridinyl]-3-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)propan-2-amine is sourced from PubChem (CID 175883531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).