9-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

C14H15ClF3N3O2 — CID 163317013

IUPAC9-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESO=C1COC2(CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)CN1
InChIInChI=1S/C14H15ClF3N3O2/c15-10-5-9(14(16,17)18)6-19-12(10)21-3-1-13(2-4-21)8-20-11(22)7-23-13/h5-6H,1-4,7-8H2,(H,20,22)
InChIKeyANKNQDQOVZTHNI-UHFFFAOYSA-N
MW349.74 g/mol
LogP2.24
Rot. Bonds1

About 9-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

9-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (PubChem CID 163317013) has the molecular formula C14H15ClF3N3O2 and a molecular weight of 349.74 g/mol. Its IUPAC name is 9-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name9-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
PubChem CID163317013
Molecular FormulaC14H15ClF3N3O2
Molecular Weight349.74 g/mol
Exact Mass349.08
IUPAC Name9-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESO=C1COC2(CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)CN1
InChIInChI=1S/C14H15ClF3N3O2/c15-10-5-9(14(16,17)18)6-19-12(10)21-3-1-13(2-4-21)8-20-11(22)7-23-13/h5-6H,1-4,7-8H2,(H,20,22)
InChIKeyANKNQDQOVZTHNI-UHFFFAOYSA-N
XLogP2.24
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.74
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 9-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one
CID 154818315
8-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2,8-diazaspiro[4.5]decan-3-one
CID 50968620
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-methylpyrrolidin-3-ol
CID 103725154
5-chloro-4-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]-1H-pyridazin-6-one
CID 26448464
4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide
CID 1486166
[8-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-oxa-4,8-diazaspiro[4.5]decan-4-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 4594162
2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 26452877
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-methylpiperidin-3-ol
CID 115871414
2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-2-methylpropanenitrile
CID 1478430
[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-(2,2-dichlorocyclopropyl)methanone
CID 78781777
4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(3-oxo-4H-1,4-benzoxazin-6-yl)piperazine-1-carboxamide
CID 3844680
7-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-2λ6-thia-7-azaspiro[3.4]octane 2,2-dioxide
CID 168906938

Frequently Asked Questions

What is the IUPAC name of 9-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 9-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (CID 163317013) is 9-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 9-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 9-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is O=C1COC2(CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)CN1.
What is the InChIKey of 9-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is ANKNQDQOVZTHNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClF3N3O2/c15-10-5-9(14(16,17)18)6-19-12(10)21-3-1-13(2-4-21)8-20-11(22)7-23-13/h5-6H,1-4,7-8H2,(H,20,22).
What are the key properties of 9-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
9-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 349.74 g/mol, XLogP of 2.24, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 163317013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).