(5R,9R)-9-methyl-7-(oxolane-3-carbonyl)-2-pyridin-3-yl-2,7-diazaspiro[4.4]nonan-1-one;2,2,2-trifluoroacetic acid

C20H24F3N3O5 — CID 155865558

IUPAC(5R,9R)-9-methyl-7-(oxolane-3-carbonyl)-2-pyridin-3-yl-2,7-diazaspiro[4.4]nonan-1-one;2,2,2-trifluoroacetic acid
SMILESC[C@H]1CN(C(=O)C2CCOC2)C[C@@]12CCN(c1cccnc1)C2=O.O=C(O)C(F)(F)F
InChIInChI=1S/C18H23N3O3.C2HF3O2/c1-13-10-20(16(22)14-4-8-24-11-14)12-18(13)5-7-21(17(18)23)15-3-2-6-19-9-15;3-2(4,5)1(6)7/h2-3,6,9,13-14H,4-5,7-8,10-12H2,1H3;(H,6,7)/t13-,14?,18-;/m0./s1
InChIKeyHRNITSWHFZGYLN-ABGYCFNGSA-N
MW443.42 g/mol
LogP1.95
Rot. Bonds2

About (5R,9R)-9-methyl-7-(oxolane-3-carbonyl)-2-pyridin-3-yl-2,7-diazaspiro[4.4]nonan-1-one;2,2,2-trifluoroacetic acid

(5R,9R)-9-methyl-7-(oxolane-3-carbonyl)-2-pyridin-3-yl-2,7-diazaspiro[4.4]nonan-1-one;2,2,2-trifluoroacetic acid (PubChem CID 155865558) has the molecular formula C20H24F3N3O5 and a molecular weight of 443.42 g/mol. Its IUPAC name is (5R,9R)-9-methyl-7-(oxolane-3-carbonyl)-2-pyridin-3-yl-2,7-diazaspiro[4.4]nonan-1-one;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name(5R,9R)-9-methyl-7-(oxolane-3-carbonyl)-2-pyridin-3-yl-2,7-diazaspiro[4.4]nonan-1-one;2,2,2-trifluoroacetic acid
PubChem CID155865558
Molecular FormulaC20H24F3N3O5
Molecular Weight443.42 g/mol
Exact Mass443.17
IUPAC Name(5R,9R)-9-methyl-7-(oxolane-3-carbonyl)-2-pyridin-3-yl-2,7-diazaspiro[4.4]nonan-1-one;2,2,2-trifluoroacetic acid
SMILESC[C@H]1CN(C(=O)C2CCOC2)C[C@@]12CCN(c1cccnc1)C2=O.O=C(O)C(F)(F)F
InChIInChI=1S/C18H23N3O3.C2HF3O2/c1-13-10-20(16(22)14-4-8-24-11-14)12-18(13)5-7-21(17(18)23)15-3-2-6-19-9-15;3-2(4,5)1(6)7/h2-3,6,9,13-14H,4-5,7-8,10-12H2,1H3;(H,6,7)/t13-,14?,18-;/m0./s1
InChIKeyHRNITSWHFZGYLN-ABGYCFNGSA-N
XLogP1.95
TPSA100.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.42
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (5R,9R)-9-methyl-7-(oxolane-3-carbonyl)-2-pyridin-3-yl-2,7-diazaspiro[4.4]nonan-1-one;2,2,2-trifluoroacetic acid with MolForge

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Launch Full Analysis

Related Compounds

9-(oxolan-3-yl)-2-pyridin-3-yl-2,9-diazaspiro[4.5]decan-1-one;bis(2,2,2-trifluoroacetic acid)
CID 155841747
(5S,9S)-9-methyl-7-(oxane-4-carbonyl)-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonan-1-one
CID 97471836
(5S,9S)-2,9-dimethyl-7-(pyridine-3-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one;2,2,2-trifluoroacetic acid
CID 155847909
(5S,9S)-7-(6-chloropyridine-2-carbonyl)-9-methyl-2-pyridin-3-yl-2,7-diazaspiro[4.4]nonan-1-one
CID 131689971
(5S,9S)-2-ethyl-9-methyl-7-(pyridine-3-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one;2,2,2-trifluoroacetic acid
CID 155831092
(4R,5S)-2-methyl-7-[(3S)-oxolane-3-carbonyl]-4-phenyl-2,7-diazaspiro[4.4]nonan-1-one
CID 98777017
(5S,9S)-7-[(3,4-difluorophenyl)methyl]-9-methyl-2-pyridin-3-yl-2,7-diazaspiro[4.4]nonan-1-one
CID 155873808
(5R)-9-[(3R)-oxolan-3-yl]-2-pyridin-3-yl-2,9-diazaspiro[4.5]decan-1-one
CID 124521986
(5S)-9-[(3S)-oxolan-3-yl]-2-pyridin-3-yl-2,9-diazaspiro[4.5]decan-1-one
CID 98778255
(5R)-7-(cyclopent-3-ene-1-carbonyl)-2-pyridin-3-yl-2,7-diazaspiro[4.4]nonan-1-one
CID 97451472
8-(3,3-difluorocyclobutanecarbonyl)-2-pyridin-3-yl-2,8-diazaspiro[4.5]decan-1-one
CID 131690179
(4S)-8-[(3S)-oxolane-3-carbonyl]-4-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one
CID 97391776

Frequently Asked Questions

What is the IUPAC name of (5R,9R)-9-methyl-7-(oxolane-3-carbonyl)-2-pyridin-3-yl-2,7-diazaspiro[4.4]nonan-1-one;2,2,2-trifluoroacetic acid?
The IUPAC name of (5R,9R)-9-methyl-7-(oxolane-3-carbonyl)-2-pyridin-3-yl-2,7-diazaspiro[4.4]nonan-1-one;2,2,2-trifluoroacetic acid (CID 155865558) is (5R,9R)-9-methyl-7-(oxolane-3-carbonyl)-2-pyridin-3-yl-2,7-diazaspiro[4.4]nonan-1-one;2,2,2-trifluoroacetic acid.
What is the SMILES notation for (5R,9R)-9-methyl-7-(oxolane-3-carbonyl)-2-pyridin-3-yl-2,7-diazaspiro[4.4]nonan-1-one;2,2,2-trifluoroacetic acid?
The canonical SMILES for (5R,9R)-9-methyl-7-(oxolane-3-carbonyl)-2-pyridin-3-yl-2,7-diazaspiro[4.4]nonan-1-one;2,2,2-trifluoroacetic acid is C[C@H]1CN(C(=O)C2CCOC2)C[C@@]12CCN(c1cccnc1)C2=O.O=C(O)C(F)(F)F.
What is the InChIKey of (5R,9R)-9-methyl-7-(oxolane-3-carbonyl)-2-pyridin-3-yl-2,7-diazaspiro[4.4]nonan-1-one;2,2,2-trifluoroacetic acid?
The InChIKey is HRNITSWHFZGYLN-ABGYCFNGSA-N. The full InChI is InChI=1S/C18H23N3O3.C2HF3O2/c1-13-10-20(16(22)14-4-8-24-11-14)12-18(13)5-7-21(17(18)23)15-3-2-6-19-9-15;3-2(4,5)1(6)7/h2-3,6,9,13-14H,4-5,7-8,10-12H2,1H3;(H,6,7)/t13-,14?,18-;/m0./s1.
What are the key properties of (5R,9R)-9-methyl-7-(oxolane-3-carbonyl)-2-pyridin-3-yl-2,7-diazaspiro[4.4]nonan-1-one;2,2,2-trifluoroacetic acid?
(5R,9R)-9-methyl-7-(oxolane-3-carbonyl)-2-pyridin-3-yl-2,7-diazaspiro[4.4]nonan-1-one;2,2,2-trifluoroacetic acid has a molecular weight of 443.42 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,9R)-9-methyl-7-(oxolane-3-carbonyl)-2-pyridin-3-yl-2,7-diazaspiro[4.4]nonan-1-one;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155865558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).