9-pyridin-3-yl-2-[5-(trifluoromethyl)-2-pyridinyl]-6-oxa-2,9-diazaspiro[3.6]decan-8-one

C18H17F3N4O2 — CID 134806066

IUPAC9-pyridin-3-yl-2-[5-(trifluoromethyl)-2-pyridinyl]-6-oxa-2,9-diazaspiro[3.6]decan-8-one
SMILESO=C1COCC2(CN(c3ccc(C(F)(F)F)cn3)C2)CN1c1cccnc1
InChIInChI=1S/C18H17F3N4O2/c19-18(20,21)13-3-4-15(23-6-13)24-9-17(10-24)11-25(16(26)8-27-12-17)14-2-1-5-22-7-14/h1-7H,8-12H2
InChIKeyQPKXDNZLAATVTK-UHFFFAOYSA-N
MW378.35 g/mol
LogP2.37
Rot. Bonds2

About 9-pyridin-3-yl-2-[5-(trifluoromethyl)-2-pyridinyl]-6-oxa-2,9-diazaspiro[3.6]decan-8-one

9-pyridin-3-yl-2-[5-(trifluoromethyl)-2-pyridinyl]-6-oxa-2,9-diazaspiro[3.6]decan-8-one (PubChem CID 134806066) has the molecular formula C18H17F3N4O2 and a molecular weight of 378.35 g/mol. Its IUPAC name is 9-pyridin-3-yl-2-[5-(trifluoromethyl)-2-pyridinyl]-6-oxa-2,9-diazaspiro[3.6]decan-8-one.

Molecular Properties

Compound Name9-pyridin-3-yl-2-[5-(trifluoromethyl)-2-pyridinyl]-6-oxa-2,9-diazaspiro[3.6]decan-8-one
PubChem CID134806066
Molecular FormulaC18H17F3N4O2
Molecular Weight378.35 g/mol
Exact Mass378.13
IUPAC Name9-pyridin-3-yl-2-[5-(trifluoromethyl)-2-pyridinyl]-6-oxa-2,9-diazaspiro[3.6]decan-8-one
SMILESO=C1COCC2(CN(c3ccc(C(F)(F)F)cn3)C2)CN1c1cccnc1
InChIInChI=1S/C18H17F3N4O2/c19-18(20,21)13-3-4-15(23-6-13)24-9-17(10-24)11-25(16(26)8-27-12-17)14-2-1-5-22-7-14/h1-7H,8-12H2
InChIKeyQPKXDNZLAATVTK-UHFFFAOYSA-N
XLogP2.37
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.35
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 9-pyridin-3-yl-2-[5-(trifluoromethyl)-2-pyridinyl]-6-oxa-2,9-diazaspiro[3.6]decan-8-one with MolForge

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Related Compounds

[1-[5-(Trifluoromethyl)pyridin-2-yl]azetidin-3-yl] 4-propan-2-ylpiperazine-1-carboxylate
CID 89487916
9-[(2-Methylphenyl)methyl]-2-[5-(trifluoromethyl)-2-pyridinyl]-6-oxa-2,9-diazaspiro[3.6]decan-8-one
CID 134806381
9-[(2,6-Dimethylphenyl)methyl]-2-[5-(trifluoromethyl)-2-pyridinyl]-6-oxa-2,9-diazaspiro[3.6]decan-8-one
CID 134807046
9-(6-Methoxy-3-pyridinyl)-2-[5-(trifluoromethyl)-2-pyridinyl]-6-oxa-2,9-diazaspiro[3.6]decan-8-one
CID 134811165
2-methoxy-1-(1-methyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl)ethanone
CID 97383559
2-methoxy-1-[1-(pyridin-3-ylmethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]ethanone
CID 97469036
[(2R)-oxolan-2-yl]-[1-(pyridin-3-ylmethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]methanone
CID 97469039
2-Methoxy-1-[3-(2-{[4-(trifluoromethyl)pyridin-2-YL]amino}pyrimidin-4-YL)azetidin-1-YL]ethanone
CID 118740115
8-(6-Methyl-2-pyridinyl)-4-pyridin-3-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one
CID 118740699
4-(3-Fluorophenyl)-8-pyrazin-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one
CID 118740877
4-(3-Fluorophenyl)-8-pyridin-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one
CID 118744809
9-(4-Fluorophenyl)-2-[5-(trifluoromethyl)-2-pyridinyl]-6-oxa-2,9-diazaspiro[3.6]decan-8-one
CID 134805757

Frequently Asked Questions

What is the IUPAC name of 9-pyridin-3-yl-2-[5-(trifluoromethyl)-2-pyridinyl]-6-oxa-2,9-diazaspiro[3.6]decan-8-one?
The IUPAC name of 9-pyridin-3-yl-2-[5-(trifluoromethyl)-2-pyridinyl]-6-oxa-2,9-diazaspiro[3.6]decan-8-one (CID 134806066) is 9-pyridin-3-yl-2-[5-(trifluoromethyl)-2-pyridinyl]-6-oxa-2,9-diazaspiro[3.6]decan-8-one.
What is the SMILES notation for 9-pyridin-3-yl-2-[5-(trifluoromethyl)-2-pyridinyl]-6-oxa-2,9-diazaspiro[3.6]decan-8-one?
The canonical SMILES for 9-pyridin-3-yl-2-[5-(trifluoromethyl)-2-pyridinyl]-6-oxa-2,9-diazaspiro[3.6]decan-8-one is O=C1COCC2(CN(c3ccc(C(F)(F)F)cn3)C2)CN1c1cccnc1.
What is the InChIKey of 9-pyridin-3-yl-2-[5-(trifluoromethyl)-2-pyridinyl]-6-oxa-2,9-diazaspiro[3.6]decan-8-one?
The InChIKey is QPKXDNZLAATVTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N4O2/c19-18(20,21)13-3-4-15(23-6-13)24-9-17(10-24)11-25(16(26)8-27-12-17)14-2-1-5-22-7-14/h1-7H,8-12H2.
What are the key properties of 9-pyridin-3-yl-2-[5-(trifluoromethyl)-2-pyridinyl]-6-oxa-2,9-diazaspiro[3.6]decan-8-one?
9-pyridin-3-yl-2-[5-(trifluoromethyl)-2-pyridinyl]-6-oxa-2,9-diazaspiro[3.6]decan-8-one has a molecular weight of 378.35 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-pyridin-3-yl-2-[5-(trifluoromethyl)-2-pyridinyl]-6-oxa-2,9-diazaspiro[3.6]decan-8-one is sourced from PubChem (CID 134806066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).