[8-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-oxa-4,8-diazaspiro[4.5]decan-4-yl]-phenylmethanone

C20H19ClF3N3O2 — CID 3745944

IUPAC[8-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-oxa-4,8-diazaspiro[4.5]decan-4-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCOC12CCN(c1ncc(C(F)(F)F)cc1Cl)CC2
InChIInChI=1S/C20H19ClF3N3O2/c21-16-12-15(20(22,23)24)13-25-17(16)26-8-6-19(7-9-26)27(10-11-29-19)18(28)14-4-2-1-3-5-14/h1-5,12-13H,6-11H2
InChIKeyHJNZHCLTLTXKAY-UHFFFAOYSA-N
MW425.84 g/mol
LogP4.22
Rot. Bonds2

About [8-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-oxa-4,8-diazaspiro[4.5]decan-4-yl]-phenylmethanone

[8-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-oxa-4,8-diazaspiro[4.5]decan-4-yl]-phenylmethanone (PubChem CID 3745944) has the molecular formula C20H19ClF3N3O2 and a molecular weight of 425.84 g/mol. Its IUPAC name is [8-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-oxa-4,8-diazaspiro[4.5]decan-4-yl]-phenylmethanone.

Molecular Properties

Compound Name[8-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-oxa-4,8-diazaspiro[4.5]decan-4-yl]-phenylmethanone
PubChem CID3745944
Molecular FormulaC20H19ClF3N3O2
Molecular Weight425.84 g/mol
Exact Mass425.11
IUPAC Name[8-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-oxa-4,8-diazaspiro[4.5]decan-4-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCOC12CCN(c1ncc(C(F)(F)F)cc1Cl)CC2
InChIInChI=1S/C20H19ClF3N3O2/c21-16-12-15(20(22,23)24)13-25-17(16)26-8-6-19(7-9-26)27(10-11-29-19)18(28)14-4-2-1-3-5-14/h1-5,12-13H,6-11H2
InChIKeyHJNZHCLTLTXKAY-UHFFFAOYSA-N
XLogP4.22
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.84
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [8-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-oxa-4,8-diazaspiro[4.5]decan-4-yl]-phenylmethanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [8-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-oxa-4,8-diazaspiro[4.5]decan-4-yl]-phenylmethanone?
The IUPAC name of [8-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-oxa-4,8-diazaspiro[4.5]decan-4-yl]-phenylmethanone (CID 3745944) is [8-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-oxa-4,8-diazaspiro[4.5]decan-4-yl]-phenylmethanone.
What is the SMILES notation for [8-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-oxa-4,8-diazaspiro[4.5]decan-4-yl]-phenylmethanone?
The canonical SMILES for [8-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-oxa-4,8-diazaspiro[4.5]decan-4-yl]-phenylmethanone is O=C(c1ccccc1)N1CCOC12CCN(c1ncc(C(F)(F)F)cc1Cl)CC2.
What is the InChIKey of [8-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-oxa-4,8-diazaspiro[4.5]decan-4-yl]-phenylmethanone?
The InChIKey is HJNZHCLTLTXKAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClF3N3O2/c21-16-12-15(20(22,23)24)13-25-17(16)26-8-6-19(7-9-26)27(10-11-29-19)18(28)14-4-2-1-3-5-14/h1-5,12-13H,6-11H2.
What are the key properties of [8-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-oxa-4,8-diazaspiro[4.5]decan-4-yl]-phenylmethanone?
[8-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-oxa-4,8-diazaspiro[4.5]decan-4-yl]-phenylmethanone has a molecular weight of 425.84 g/mol, XLogP of 4.22, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [8-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-oxa-4,8-diazaspiro[4.5]decan-4-yl]-phenylmethanone is sourced from PubChem (CID 3745944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).