9-pyrimidin-4-yl-N-(2,2,2-trifluoroethyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide

C14H16F3N5O2 — CID 131682585

IUPAC9-pyrimidin-4-yl-N-(2,2,2-trifluoroethyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide
SMILESO=C(NCC(F)(F)F)C1=NOC2(CCCN(c3ccncn3)C2)C1
InChIInChI=1S/C14H16F3N5O2/c15-14(16,17)7-19-12(23)10-6-13(24-21-10)3-1-5-22(8-13)11-2-4-18-9-20-11/h2,4,9H,1,3,5-8H2,(H,19,23)
InChIKeyOGEKKYYBFWUFNS-UHFFFAOYSA-N
MW343.31 g/mol
LogP1.27
Rot. Bonds3

About 9-pyrimidin-4-yl-N-(2,2,2-trifluoroethyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide

9-pyrimidin-4-yl-N-(2,2,2-trifluoroethyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide (PubChem CID 131682585) has the molecular formula C14H16F3N5O2 and a molecular weight of 343.31 g/mol. Its IUPAC name is 9-pyrimidin-4-yl-N-(2,2,2-trifluoroethyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide.

Molecular Properties

Compound Name9-pyrimidin-4-yl-N-(2,2,2-trifluoroethyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide
PubChem CID131682585
Molecular FormulaC14H16F3N5O2
Molecular Weight343.31 g/mol
Exact Mass343.13
IUPAC Name9-pyrimidin-4-yl-N-(2,2,2-trifluoroethyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide
SMILESO=C(NCC(F)(F)F)C1=NOC2(CCCN(c3ccncn3)C2)C1
InChIInChI=1S/C14H16F3N5O2/c15-14(16,17)7-19-12(23)10-6-13(24-21-10)3-1-5-22(8-13)11-2-4-18-9-20-11/h2,4,9H,1,3,5-8H2,(H,19,23)
InChIKeyOGEKKYYBFWUFNS-UHFFFAOYSA-N
XLogP1.27
TPSA79.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.31
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 9-pyrimidin-4-yl-N-(2,2,2-trifluoroethyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide?
The IUPAC name of 9-pyrimidin-4-yl-N-(2,2,2-trifluoroethyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide (CID 131682585) is 9-pyrimidin-4-yl-N-(2,2,2-trifluoroethyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide.
What is the SMILES notation for 9-pyrimidin-4-yl-N-(2,2,2-trifluoroethyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide?
The canonical SMILES for 9-pyrimidin-4-yl-N-(2,2,2-trifluoroethyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide is O=C(NCC(F)(F)F)C1=NOC2(CCCN(c3ccncn3)C2)C1.
What is the InChIKey of 9-pyrimidin-4-yl-N-(2,2,2-trifluoroethyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide?
The InChIKey is OGEKKYYBFWUFNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N5O2/c15-14(16,17)7-19-12(23)10-6-13(24-21-10)3-1-5-22(8-13)11-2-4-18-9-20-11/h2,4,9H,1,3,5-8H2,(H,19,23).
What are the key properties of 9-pyrimidin-4-yl-N-(2,2,2-trifluoroethyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide?
9-pyrimidin-4-yl-N-(2,2,2-trifluoroethyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide has a molecular weight of 343.31 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-pyrimidin-4-yl-N-(2,2,2-trifluoroethyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide is sourced from PubChem (CID 131682585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).