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

C19H19F3N4O3 — CID 134811165

IUPAC9-(6-methoxy-3-pyridinyl)-2-[5-(trifluoromethyl)-2-pyridinyl]-6-oxa-2,9-diazaspiro[3.6]decan-8-one
SMILESCOc1ccc(N2CC3(COCC2=O)CN(c2ccc(C(F)(F)F)cn2)C3)cn1
InChIInChI=1S/C19H19F3N4O3/c1-28-16-5-3-14(7-24-16)26-11-18(12-29-8-17(26)27)9-25(10-18)15-4-2-13(6-23-15)19(20,21)22/h2-7H,8-12H2,1H3
InChIKeySSMHWSLYOXIEBV-UHFFFAOYSA-N
MW408.38 g/mol
LogP2.37
Rot. Bonds3

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

9-(6-methoxy-3-pyridinyl)-2-[5-(trifluoromethyl)-2-pyridinyl]-6-oxa-2,9-diazaspiro[3.6]decan-8-one (PubChem CID 134811165) has the molecular formula C19H19F3N4O3 and a molecular weight of 408.38 g/mol. Its IUPAC name is 9-(6-methoxy-3-pyridinyl)-2-[5-(trifluoromethyl)-2-pyridinyl]-6-oxa-2,9-diazaspiro[3.6]decan-8-one.

Molecular Properties

Compound Name9-(6-methoxy-3-pyridinyl)-2-[5-(trifluoromethyl)-2-pyridinyl]-6-oxa-2,9-diazaspiro[3.6]decan-8-one
PubChem CID134811165
Molecular FormulaC19H19F3N4O3
Molecular Weight408.38 g/mol
Exact Mass408.14
IUPAC Name9-(6-methoxy-3-pyridinyl)-2-[5-(trifluoromethyl)-2-pyridinyl]-6-oxa-2,9-diazaspiro[3.6]decan-8-one
SMILESCOc1ccc(N2CC3(COCC2=O)CN(c2ccc(C(F)(F)F)cn2)C3)cn1
InChIInChI=1S/C19H19F3N4O3/c1-28-16-5-3-14(7-24-16)26-11-18(12-29-8-17(26)27)9-25(10-18)15-4-2-13(6-23-15)19(20,21)22/h2-7H,8-12H2,1H3
InChIKeySSMHWSLYOXIEBV-UHFFFAOYSA-N
XLogP2.37
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.38
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 9-(6-methoxy-3-pyridinyl)-2-[5-(trifluoromethyl)-2-pyridinyl]-6-oxa-2,9-diazaspiro[3.6]decan-8-one?
The IUPAC name of 9-(6-methoxy-3-pyridinyl)-2-[5-(trifluoromethyl)-2-pyridinyl]-6-oxa-2,9-diazaspiro[3.6]decan-8-one (CID 134811165) is 9-(6-methoxy-3-pyridinyl)-2-[5-(trifluoromethyl)-2-pyridinyl]-6-oxa-2,9-diazaspiro[3.6]decan-8-one.
What is the SMILES notation for 9-(6-methoxy-3-pyridinyl)-2-[5-(trifluoromethyl)-2-pyridinyl]-6-oxa-2,9-diazaspiro[3.6]decan-8-one?
The canonical SMILES for 9-(6-methoxy-3-pyridinyl)-2-[5-(trifluoromethyl)-2-pyridinyl]-6-oxa-2,9-diazaspiro[3.6]decan-8-one is COc1ccc(N2CC3(COCC2=O)CN(c2ccc(C(F)(F)F)cn2)C3)cn1.
What is the InChIKey of 9-(6-methoxy-3-pyridinyl)-2-[5-(trifluoromethyl)-2-pyridinyl]-6-oxa-2,9-diazaspiro[3.6]decan-8-one?
The InChIKey is SSMHWSLYOXIEBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N4O3/c1-28-16-5-3-14(7-24-16)26-11-18(12-29-8-17(26)27)9-25(10-18)15-4-2-13(6-23-15)19(20,21)22/h2-7H,8-12H2,1H3.
What are the key properties of 9-(6-methoxy-3-pyridinyl)-2-[5-(trifluoromethyl)-2-pyridinyl]-6-oxa-2,9-diazaspiro[3.6]decan-8-one?
9-(6-methoxy-3-pyridinyl)-2-[5-(trifluoromethyl)-2-pyridinyl]-6-oxa-2,9-diazaspiro[3.6]decan-8-one has a molecular weight of 408.38 g/mol, XLogP of 2.37, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(6-methoxy-3-pyridinyl)-2-[5-(trifluoromethyl)-2-pyridinyl]-6-oxa-2,9-diazaspiro[3.6]decan-8-one is sourced from PubChem (CID 134811165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).