8-(5-chloro-3-fluoro-2-pyridinyl)-5-[(4-fluorophenyl)methyl]-2-oxa-5,8-diazaspiro[3.5]nonan-6-one

C18H16ClF2N3O2 — CID 167201694

IUPAC8-(5-chloro-3-fluoro-2-pyridinyl)-5-[(4-fluorophenyl)methyl]-2-oxa-5,8-diazaspiro[3.5]nonan-6-one
SMILESO=C1CN(c2ncc(Cl)cc2F)CC2(COC2)N1Cc1ccc(F)cc1
InChIInChI=1S/C18H16ClF2N3O2/c19-13-5-15(21)17(22-6-13)23-8-16(25)24(18(9-23)10-26-11-18)7-12-1-3-14(20)4-2-12/h1-6H,7-11H2
InChIKeyYPHAKEZLGQQXAM-UHFFFAOYSA-N
MW379.79 g/mol
LogP2.63
Rot. Bonds3

About 8-(5-chloro-3-fluoro-2-pyridinyl)-5-[(4-fluorophenyl)methyl]-2-oxa-5,8-diazaspiro[3.5]nonan-6-one

8-(5-chloro-3-fluoro-2-pyridinyl)-5-[(4-fluorophenyl)methyl]-2-oxa-5,8-diazaspiro[3.5]nonan-6-one (PubChem CID 167201694) has the molecular formula C18H16ClF2N3O2 and a molecular weight of 379.79 g/mol. Its IUPAC name is 8-(5-chloro-3-fluoro-2-pyridinyl)-5-[(4-fluorophenyl)methyl]-2-oxa-5,8-diazaspiro[3.5]nonan-6-one.

Molecular Properties

Compound Name8-(5-chloro-3-fluoro-2-pyridinyl)-5-[(4-fluorophenyl)methyl]-2-oxa-5,8-diazaspiro[3.5]nonan-6-one
PubChem CID167201694
Molecular FormulaC18H16ClF2N3O2
Molecular Weight379.79 g/mol
Exact Mass379.09
IUPAC Name8-(5-chloro-3-fluoro-2-pyridinyl)-5-[(4-fluorophenyl)methyl]-2-oxa-5,8-diazaspiro[3.5]nonan-6-one
SMILESO=C1CN(c2ncc(Cl)cc2F)CC2(COC2)N1Cc1ccc(F)cc1
InChIInChI=1S/C18H16ClF2N3O2/c19-13-5-15(21)17(22-6-13)23-8-16(25)24(18(9-23)10-26-11-18)7-12-1-3-14(20)4-2-12/h1-6H,7-11H2
InChIKeyYPHAKEZLGQQXAM-UHFFFAOYSA-N
XLogP2.63
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.79
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(benzylcarbamoyl)-2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide
CID 2999184
{8-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]-1-oxa-4,8-diazaspiro[4.5]dec-4-yl}(phenyl)methanone
CID 3745944
1-[(2-Chloro-4-fluorophenyl)methyl]-4-(3-methyl-2-pyridinyl)piperazine-2,3-dione
CID 49839140
2-[4-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1-(2,6-dimethylmorpholin-4-yl)propan-1-one
CID 4968390
9-[(2-Chloro-4-fluorophenyl)methyl]-2-[5-(trifluoromethyl)-2-pyridinyl]-6-oxa-2,9-diazaspiro[3.6]decan-8-one
CID 134805037
9-[(2-Chloro-6-fluorophenyl)methyl]-2-[5-(trifluoromethyl)-2-pyridinyl]-6-oxa-2,9-diazaspiro[3.6]decan-8-one
CID 134809101
{1-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]-4-piperidinyl}(morpholino)methanone
CID 2766908
1-{4-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}-2-morpholino-1-ethanone
CID 4564333
N-(5-Chloropyridin-2-YL)-2-{4-[(4-fluorophenyl)methyl]-2,3-dioxopiperazin-1-YL}butanamide
CID 53005703
(E)-3-(3-chlorophenyl)-1-[4-[3-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]prop-2-en-1-one
CID 16041958
N-benzyl-4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazine-1-carboxamide
CID 21037676
1-[(2-Chloro-4-fluorophenyl)methyl]-4-pyridin-2-ylpiperazine-2,3-dione
CID 49838662

Frequently Asked Questions

What is the IUPAC name of 8-(5-chloro-3-fluoro-2-pyridinyl)-5-[(4-fluorophenyl)methyl]-2-oxa-5,8-diazaspiro[3.5]nonan-6-one?
The IUPAC name of 8-(5-chloro-3-fluoro-2-pyridinyl)-5-[(4-fluorophenyl)methyl]-2-oxa-5,8-diazaspiro[3.5]nonan-6-one (CID 167201694) is 8-(5-chloro-3-fluoro-2-pyridinyl)-5-[(4-fluorophenyl)methyl]-2-oxa-5,8-diazaspiro[3.5]nonan-6-one.
What is the SMILES notation for 8-(5-chloro-3-fluoro-2-pyridinyl)-5-[(4-fluorophenyl)methyl]-2-oxa-5,8-diazaspiro[3.5]nonan-6-one?
The canonical SMILES for 8-(5-chloro-3-fluoro-2-pyridinyl)-5-[(4-fluorophenyl)methyl]-2-oxa-5,8-diazaspiro[3.5]nonan-6-one is O=C1CN(c2ncc(Cl)cc2F)CC2(COC2)N1Cc1ccc(F)cc1.
What is the InChIKey of 8-(5-chloro-3-fluoro-2-pyridinyl)-5-[(4-fluorophenyl)methyl]-2-oxa-5,8-diazaspiro[3.5]nonan-6-one?
The InChIKey is YPHAKEZLGQQXAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClF2N3O2/c19-13-5-15(21)17(22-6-13)23-8-16(25)24(18(9-23)10-26-11-18)7-12-1-3-14(20)4-2-12/h1-6H,7-11H2.
What are the key properties of 8-(5-chloro-3-fluoro-2-pyridinyl)-5-[(4-fluorophenyl)methyl]-2-oxa-5,8-diazaspiro[3.5]nonan-6-one?
8-(5-chloro-3-fluoro-2-pyridinyl)-5-[(4-fluorophenyl)methyl]-2-oxa-5,8-diazaspiro[3.5]nonan-6-one has a molecular weight of 379.79 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(5-chloro-3-fluoro-2-pyridinyl)-5-[(4-fluorophenyl)methyl]-2-oxa-5,8-diazaspiro[3.5]nonan-6-one is sourced from PubChem (CID 167201694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).