8-[2-amino-3-chloro-5-[4-(trifluoromethyl)phenyl]-4-pyridinyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C19H18ClF3N4O2 — CID 118564088

IUPAC8-[2-amino-3-chloro-5-[4-(trifluoromethyl)phenyl]-4-pyridinyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESNc1ncc(-c2ccc(C(F)(F)F)cc2)c(N2CCC3(CC2)CNC(=O)O3)c1Cl
InChIInChI=1S/C19H18ClF3N4O2/c20-14-15(27-7-5-18(6-8-27)10-26-17(28)29-18)13(9-25-16(14)24)11-1-3-12(4-2-11)19(21,22)23/h1-4,9H,5-8,10H2,(H2,24,25)(H,26,28)
InChIKeyXQICUQNVAWPNNF-UHFFFAOYSA-N
MW426.83 g/mol
LogP4.08
Rot. Bonds2

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

8-[2-amino-3-chloro-5-[4-(trifluoromethyl)phenyl]-4-pyridinyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 118564088) has the molecular formula C19H18ClF3N4O2 and a molecular weight of 426.83 g/mol. Its IUPAC name is 8-[2-amino-3-chloro-5-[4-(trifluoromethyl)phenyl]-4-pyridinyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-[2-amino-3-chloro-5-[4-(trifluoromethyl)phenyl]-4-pyridinyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID118564088
Molecular FormulaC19H18ClF3N4O2
Molecular Weight426.83 g/mol
Exact Mass426.11
IUPAC Name8-[2-amino-3-chloro-5-[4-(trifluoromethyl)phenyl]-4-pyridinyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESNc1ncc(-c2ccc(C(F)(F)F)cc2)c(N2CCC3(CC2)CNC(=O)O3)c1Cl
InChIInChI=1S/C19H18ClF3N4O2/c20-14-15(27-7-5-18(6-8-27)10-26-17(28)29-18)13(9-25-16(14)24)11-1-3-12(4-2-11)19(21,22)23/h1-4,9H,5-8,10H2,(H2,24,25)(H,26,28)
InChIKeyXQICUQNVAWPNNF-UHFFFAOYSA-N
XLogP4.08
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.83
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

8-[2-Amino-3-chloro-5-[4-(1-methylpyrazol-4-yl)phenyl]-4-pyridinyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 74222104
8-[2-Amino-5-[4-(1-methylpyrazol-4-yl)phenyl]-3-(trifluoromethyl)pyridin-4-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 74222520
8-[5-Chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 67508753
3-[2-[[(1S)-1-[5-chloro-6-(1,1-difluoroethyl)pyridin-3-yl]ethyl]amino]-5-fluoropyrimidin-4-yl]-4,4,5,5-tetramethyl-1,3-oxazolidin-2-one
CID 89489902
8-[2-Amino-3-chloro-5-[4-(1-methylpyrazol-4-yl)phenyl]-4-pyridinyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;2,2,2-trifluoroacetic acid
CID 127046980
8-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-cyclohexyl-1-oxa-4,8-diazaspiro[4.5]decane-4-carboxamide
CID 1478853
N-[[(5S)-3-[4-[4-[[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]methyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 11505368
N-[[(5S)-3-[4-[4-[[3-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]propylamino]methyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 23404052
8-[2-Amino-5-[4-(1-propan-2-ylpyrazol-4-yl)phenyl]-3-(trifluoromethyl)pyridin-4-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 74222613
8-[2-Amino-3-fluoro-5-[4-(1-methylpyrazol-4-yl)phenyl]-4-pyridinyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 74222785
8-(2-Amino-5-chloro-3-fluoropyridin-4-yl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 90113148
3-[2-[1-[5-Chloro-6-(1,1-difluoroethyl)-3-pyridinyl]ethylamino]-5-fluoropyrimidin-4-yl]-4,4,5,5-tetramethyl-1,3-oxazolidin-2-one
CID 123966257

Frequently Asked Questions

What is the IUPAC name of 8-[2-amino-3-chloro-5-[4-(trifluoromethyl)phenyl]-4-pyridinyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-[2-amino-3-chloro-5-[4-(trifluoromethyl)phenyl]-4-pyridinyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 118564088) is 8-[2-amino-3-chloro-5-[4-(trifluoromethyl)phenyl]-4-pyridinyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-[2-amino-3-chloro-5-[4-(trifluoromethyl)phenyl]-4-pyridinyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-[2-amino-3-chloro-5-[4-(trifluoromethyl)phenyl]-4-pyridinyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is Nc1ncc(-c2ccc(C(F)(F)F)cc2)c(N2CCC3(CC2)CNC(=O)O3)c1Cl.
What is the InChIKey of 8-[2-amino-3-chloro-5-[4-(trifluoromethyl)phenyl]-4-pyridinyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is XQICUQNVAWPNNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClF3N4O2/c20-14-15(27-7-5-18(6-8-27)10-26-17(28)29-18)13(9-25-16(14)24)11-1-3-12(4-2-11)19(21,22)23/h1-4,9H,5-8,10H2,(H2,24,25)(H,26,28).
What are the key properties of 8-[2-amino-3-chloro-5-[4-(trifluoromethyl)phenyl]-4-pyridinyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
8-[2-amino-3-chloro-5-[4-(trifluoromethyl)phenyl]-4-pyridinyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 426.83 g/mol, XLogP of 4.08, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-amino-3-chloro-5-[4-(trifluoromethyl)phenyl]-4-pyridinyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 118564088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).