[10,10-difluoro-2-(3-fluorophenyl)-2,7-diazaspiro[4.5]decan-7-yl]-pyridin-3-ylmethanone

C20H20F3N3O — CID 134077535

IUPAC[10,10-difluoro-2-(3-fluorophenyl)-2,7-diazaspiro[4.5]decan-7-yl]-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)N1CCC(F)(F)C2(CCN(c3cccc(F)c3)C2)C1
InChIInChI=1S/C20H20F3N3O/c21-16-4-1-5-17(11-16)25-9-6-19(13-25)14-26(10-7-20(19,22)23)18(27)15-3-2-8-24-12-15/h1-5,8,11-12H,6-7,9-10,13-14H2
InChIKeyGMZHUVXZPYCHSO-UHFFFAOYSA-N
MW375.39 g/mol
LogP3.60
Rot. Bonds2

About [10,10-difluoro-2-(3-fluorophenyl)-2,7-diazaspiro[4.5]decan-7-yl]-pyridin-3-ylmethanone

[10,10-difluoro-2-(3-fluorophenyl)-2,7-diazaspiro[4.5]decan-7-yl]-pyridin-3-ylmethanone (PubChem CID 134077535) has the molecular formula C20H20F3N3O and a molecular weight of 375.39 g/mol. Its IUPAC name is [10,10-difluoro-2-(3-fluorophenyl)-2,7-diazaspiro[4.5]decan-7-yl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[10,10-difluoro-2-(3-fluorophenyl)-2,7-diazaspiro[4.5]decan-7-yl]-pyridin-3-ylmethanone
PubChem CID134077535
Molecular FormulaC20H20F3N3O
Molecular Weight375.39 g/mol
Exact Mass375.16
IUPAC Name[10,10-difluoro-2-(3-fluorophenyl)-2,7-diazaspiro[4.5]decan-7-yl]-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)N1CCC(F)(F)C2(CCN(c3cccc(F)c3)C2)C1
InChIInChI=1S/C20H20F3N3O/c21-16-4-1-5-17(11-16)25-9-6-19(13-25)14-26(10-7-20(19,22)23)18(27)15-3-2-8-24-12-15/h1-5,8,11-12H,6-7,9-10,13-14H2
InChIKeyGMZHUVXZPYCHSO-UHFFFAOYSA-N
XLogP3.60
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.39
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(10,10-difluoro-2-pyridin-3-yl-2,7-diazaspiro[4.5]decan-7-yl)-pyridin-4-ylmethanone;bis(2,2,2-trifluoroacetic acid)
CID 155856748
(3-chlorophenyl)-(10,10-difluoro-2-pyrazin-2-yl-2,7-diazaspiro[4.5]decan-7-yl)methanone
CID 155871914
(10,10-difluoro-2-phenyl-2,7-diazaspiro[4.5]decan-7-yl)-(1,2-oxazol-5-yl)methanone
CID 134077534
[10,10-difluoro-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-pyridin-3-ylmethanone
CID 134077901
2-[(5R)-6,6-difluoro-2-pyridin-3-yl-2,9-diazaspiro[4.5]decan-9-yl]ethanol
CID 97399378
[8-(3-fluorophenyl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-pyridazin-4-ylmethanone
CID 134074046
(4-fluoro-4-propylpiperidin-1-yl)-pyridin-3-ylmethanone
CID 142181513
(3-fluorophenyl)-(8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-2-yl)methanone
CID 97385423
6,6-difluoro-2-pyridin-3-yl-9-(pyridin-3-ylmethyl)-2,9-diazaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid)
CID 171696511
3-methyl-1-(pyridine-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 63142817
(3-fluorophenyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 103726936
(3R)-3-[[3-(3-fluorophenyl)phenyl]methyl]-1-(pyridine-3-carbonyl)piperidine-3-carboxamide
CID 92569616

Frequently Asked Questions

What is the IUPAC name of [10,10-difluoro-2-(3-fluorophenyl)-2,7-diazaspiro[4.5]decan-7-yl]-pyridin-3-ylmethanone?
The IUPAC name of [10,10-difluoro-2-(3-fluorophenyl)-2,7-diazaspiro[4.5]decan-7-yl]-pyridin-3-ylmethanone (CID 134077535) is [10,10-difluoro-2-(3-fluorophenyl)-2,7-diazaspiro[4.5]decan-7-yl]-pyridin-3-ylmethanone.
What is the SMILES notation for [10,10-difluoro-2-(3-fluorophenyl)-2,7-diazaspiro[4.5]decan-7-yl]-pyridin-3-ylmethanone?
The canonical SMILES for [10,10-difluoro-2-(3-fluorophenyl)-2,7-diazaspiro[4.5]decan-7-yl]-pyridin-3-ylmethanone is O=C(c1cccnc1)N1CCC(F)(F)C2(CCN(c3cccc(F)c3)C2)C1.
What is the InChIKey of [10,10-difluoro-2-(3-fluorophenyl)-2,7-diazaspiro[4.5]decan-7-yl]-pyridin-3-ylmethanone?
The InChIKey is GMZHUVXZPYCHSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N3O/c21-16-4-1-5-17(11-16)25-9-6-19(13-25)14-26(10-7-20(19,22)23)18(27)15-3-2-8-24-12-15/h1-5,8,11-12H,6-7,9-10,13-14H2.
What are the key properties of [10,10-difluoro-2-(3-fluorophenyl)-2,7-diazaspiro[4.5]decan-7-yl]-pyridin-3-ylmethanone?
[10,10-difluoro-2-(3-fluorophenyl)-2,7-diazaspiro[4.5]decan-7-yl]-pyridin-3-ylmethanone has a molecular weight of 375.39 g/mol, XLogP of 3.60, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [10,10-difluoro-2-(3-fluorophenyl)-2,7-diazaspiro[4.5]decan-7-yl]-pyridin-3-ylmethanone is sourced from PubChem (CID 134077535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).