8-(3-fluoro-2-pyridinyl)-N-propan-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane-4-carboxamide;2,2,2-trifluoroacetic acid

C19H26F4N4O4 — CID 118743299

IUPAC8-(3-fluoro-2-pyridinyl)-N-propan-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane-4-carboxamide;2,2,2-trifluoroacetic acid
SMILESCC(C)NC(=O)N1CCOC2(CCCN(c3ncccc3F)C2)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C17H25FN4O2.C2HF3O2/c1-13(2)20-16(23)22-9-10-24-17(12-22)6-4-8-21(11-17)15-14(18)5-3-7-19-15;3-2(4,5)1(6)7/h3,5,7,13H,4,6,8-12H2,1-2H3,(H,20,23);(H,6,7)
InChIKeyQOZUQEPHTRCJEV-UHFFFAOYSA-N
MW450.43 g/mol
LogP2.64
Rot. Bonds2

About 8-(3-fluoro-2-pyridinyl)-N-propan-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane-4-carboxamide;2,2,2-trifluoroacetic acid

8-(3-fluoro-2-pyridinyl)-N-propan-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane-4-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 118743299) has the molecular formula C19H26F4N4O4 and a molecular weight of 450.43 g/mol. Its IUPAC name is 8-(3-fluoro-2-pyridinyl)-N-propan-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane-4-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name8-(3-fluoro-2-pyridinyl)-N-propan-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane-4-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID118743299
Molecular FormulaC19H26F4N4O4
Molecular Weight450.43 g/mol
Exact Mass450.19
IUPAC Name8-(3-fluoro-2-pyridinyl)-N-propan-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane-4-carboxamide;2,2,2-trifluoroacetic acid
SMILESCC(C)NC(=O)N1CCOC2(CCCN(c3ncccc3F)C2)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C17H25FN4O2.C2HF3O2/c1-13(2)20-16(23)22-9-10-24-17(12-22)6-4-8-21(11-17)15-14(18)5-3-7-19-15;3-2(4,5)1(6)7/h3,5,7,13H,4,6,8-12H2,1-2H3,(H,20,23);(H,6,7)
InChIKeyQOZUQEPHTRCJEV-UHFFFAOYSA-N
XLogP2.64
TPSA95.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.43
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-(3-fluoro-2-pyridinyl)-N-propan-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane-4-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 8-(3-fluoro-2-pyridinyl)-N-propan-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane-4-carboxamide;2,2,2-trifluoroacetic acid (CID 118743299) is 8-(3-fluoro-2-pyridinyl)-N-propan-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane-4-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 8-(3-fluoro-2-pyridinyl)-N-propan-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane-4-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 8-(3-fluoro-2-pyridinyl)-N-propan-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane-4-carboxamide;2,2,2-trifluoroacetic acid is CC(C)NC(=O)N1CCOC2(CCCN(c3ncccc3F)C2)C1.O=C(O)C(F)(F)F.
What is the InChIKey of 8-(3-fluoro-2-pyridinyl)-N-propan-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane-4-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is QOZUQEPHTRCJEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN4O2.C2HF3O2/c1-13(2)20-16(23)22-9-10-24-17(12-22)6-4-8-21(11-17)15-14(18)5-3-7-19-15;3-2(4,5)1(6)7/h3,5,7,13H,4,6,8-12H2,1-2H3,(H,20,23);(H,6,7).
What are the key properties of 8-(3-fluoro-2-pyridinyl)-N-propan-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane-4-carboxamide;2,2,2-trifluoroacetic acid?
8-(3-fluoro-2-pyridinyl)-N-propan-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane-4-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 450.43 g/mol, XLogP of 2.64, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-fluoro-2-pyridinyl)-N-propan-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane-4-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 118743299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).