[5-[3-chloro-5-(trifluoromethyl)pyridine-2-carbonyl]-5-azaspiro[2.3]hexan-2-yl]-(3-hydroxyazetidin-1-yl)methanone

C16H15ClF3N3O3 — CID 171674775

IUPAC[5-[3-chloro-5-(trifluoromethyl)pyridine-2-carbonyl]-5-azaspiro[2.3]hexan-2-yl]-(3-hydroxyazetidin-1-yl)methanone
SMILESO=C(c1ncc(C(F)(F)F)cc1Cl)N1CC2(CC2C(=O)N2CC(O)C2)C1
InChIInChI=1S/C16H15ClF3N3O3/c17-11-1-8(16(18,19)20)3-21-12(11)14(26)23-6-15(7-23)2-10(15)13(25)22-4-9(24)5-22/h1,3,9-10,24H,2,4-7H2
InChIKeyUJMRXJRSUOWHMS-UHFFFAOYSA-N
MW389.76 g/mol
LogP1.42
Rot. Bonds2

About [5-[3-chloro-5-(trifluoromethyl)pyridine-2-carbonyl]-5-azaspiro[2.3]hexan-2-yl]-(3-hydroxyazetidin-1-yl)methanone

[5-[3-chloro-5-(trifluoromethyl)pyridine-2-carbonyl]-5-azaspiro[2.3]hexan-2-yl]-(3-hydroxyazetidin-1-yl)methanone (PubChem CID 171674775) has the molecular formula C16H15ClF3N3O3 and a molecular weight of 389.76 g/mol. Its IUPAC name is [5-[3-chloro-5-(trifluoromethyl)pyridine-2-carbonyl]-5-azaspiro[2.3]hexan-2-yl]-(3-hydroxyazetidin-1-yl)methanone.

Molecular Properties

Compound Name[5-[3-chloro-5-(trifluoromethyl)pyridine-2-carbonyl]-5-azaspiro[2.3]hexan-2-yl]-(3-hydroxyazetidin-1-yl)methanone
PubChem CID171674775
Molecular FormulaC16H15ClF3N3O3
Molecular Weight389.76 g/mol
Exact Mass389.08
IUPAC Name[5-[3-chloro-5-(trifluoromethyl)pyridine-2-carbonyl]-5-azaspiro[2.3]hexan-2-yl]-(3-hydroxyazetidin-1-yl)methanone
SMILESO=C(c1ncc(C(F)(F)F)cc1Cl)N1CC2(CC2C(=O)N2CC(O)C2)C1
InChIInChI=1S/C16H15ClF3N3O3/c17-11-1-8(16(18,19)20)3-21-12(11)14(26)23-6-15(7-23)2-10(15)13(25)22-4-9(24)5-22/h1,3,9-10,24H,2,4-7H2
InChIKeyUJMRXJRSUOWHMS-UHFFFAOYSA-N
XLogP1.42
TPSA73.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.76
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-amino-2-[3-chloro-5-(trifluoromethyl)pyridine-2-carbonyl]-8,8-dimethyl-2-azaspiro[3.5]non-5-en-7-one
CID 166945776
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2,2,2-trifluoroethanone
CID 137346954
[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-(2,2-dichlorocyclopropyl)methanone
CID 78781777
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-oxoacetic acid
CID 139035182
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-cyclopropyl-2-(dimethylaminomethylidene)propane-1,3-dione
CID 54452262
8-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 63770283
4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-hydroxybut-3-en-2-one
CID 7075350
[5-[5-[(3,4-dichlorophenyl)-difluoromethyl]-1,3,4-oxadiazol-2-yl]-7-(pyrimidine-2-carbonyl)-2,7-diazaspiro[3.4]octan-2-yl]-[(1S)-2,2-dimethylcyclopropyl]methanone
CID 170756570
[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-morpholin-4-ylmethanone
CID 2766908
1-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]ethylcarbamoyl]piperidine-3-carboxylic acid
CID 122003524
3-chloro-N-(1,4-dioxan-2-ylmethyl)-N-methyl-5-(trifluoromethyl)pyridine-2-carboxamide
CID 138024027
N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-2-(cyclopropylmethylamino)acetamide
CID 119893774

Frequently Asked Questions

What is the IUPAC name of [5-[3-chloro-5-(trifluoromethyl)pyridine-2-carbonyl]-5-azaspiro[2.3]hexan-2-yl]-(3-hydroxyazetidin-1-yl)methanone?
The IUPAC name of [5-[3-chloro-5-(trifluoromethyl)pyridine-2-carbonyl]-5-azaspiro[2.3]hexan-2-yl]-(3-hydroxyazetidin-1-yl)methanone (CID 171674775) is [5-[3-chloro-5-(trifluoromethyl)pyridine-2-carbonyl]-5-azaspiro[2.3]hexan-2-yl]-(3-hydroxyazetidin-1-yl)methanone.
What is the SMILES notation for [5-[3-chloro-5-(trifluoromethyl)pyridine-2-carbonyl]-5-azaspiro[2.3]hexan-2-yl]-(3-hydroxyazetidin-1-yl)methanone?
The canonical SMILES for [5-[3-chloro-5-(trifluoromethyl)pyridine-2-carbonyl]-5-azaspiro[2.3]hexan-2-yl]-(3-hydroxyazetidin-1-yl)methanone is O=C(c1ncc(C(F)(F)F)cc1Cl)N1CC2(CC2C(=O)N2CC(O)C2)C1.
What is the InChIKey of [5-[3-chloro-5-(trifluoromethyl)pyridine-2-carbonyl]-5-azaspiro[2.3]hexan-2-yl]-(3-hydroxyazetidin-1-yl)methanone?
The InChIKey is UJMRXJRSUOWHMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClF3N3O3/c17-11-1-8(16(18,19)20)3-21-12(11)14(26)23-6-15(7-23)2-10(15)13(25)22-4-9(24)5-22/h1,3,9-10,24H,2,4-7H2.
What are the key properties of [5-[3-chloro-5-(trifluoromethyl)pyridine-2-carbonyl]-5-azaspiro[2.3]hexan-2-yl]-(3-hydroxyazetidin-1-yl)methanone?
[5-[3-chloro-5-(trifluoromethyl)pyridine-2-carbonyl]-5-azaspiro[2.3]hexan-2-yl]-(3-hydroxyazetidin-1-yl)methanone has a molecular weight of 389.76 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[3-chloro-5-(trifluoromethyl)pyridine-2-carbonyl]-5-azaspiro[2.3]hexan-2-yl]-(3-hydroxyazetidin-1-yl)methanone is sourced from PubChem (CID 171674775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).