(5S,9S)-9-methyl-7-(1-methyl-6-oxopyridine-2-carbonyl)-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonan-1-one

C19H21N3O3S — CID 131690193

IUPAC(5S,9S)-9-methyl-7-(1-methyl-6-oxopyridine-2-carbonyl)-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonan-1-one
SMILESC[C@@H]1CN(C(=O)c2cccc(=O)n2C)C[C@]12CCN(c1ccsc1)C2=O
InChIInChI=1S/C19H21N3O3S/c1-13-10-21(17(24)15-4-3-5-16(23)20(15)2)12-19(13)7-8-22(18(19)25)14-6-9-26-11-14/h3-6,9,11,13H,7-8,10,12H2,1-2H3/t13-,19-/m1/s1
InChIKeyRCQGDLACZOHXIJ-BFUOFWGJSA-N
MW371.46 g/mol
LogP1.96
Rot. Bonds2

About (5S,9S)-9-methyl-7-(1-methyl-6-oxopyridine-2-carbonyl)-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonan-1-one

(5S,9S)-9-methyl-7-(1-methyl-6-oxopyridine-2-carbonyl)-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonan-1-one (PubChem CID 131690193) has the molecular formula C19H21N3O3S and a molecular weight of 371.46 g/mol. Its IUPAC name is (5S,9S)-9-methyl-7-(1-methyl-6-oxopyridine-2-carbonyl)-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonan-1-one.

Molecular Properties

Compound Name(5S,9S)-9-methyl-7-(1-methyl-6-oxopyridine-2-carbonyl)-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonan-1-one
PubChem CID131690193
Molecular FormulaC19H21N3O3S
Molecular Weight371.46 g/mol
Exact Mass371.13
IUPAC Name(5S,9S)-9-methyl-7-(1-methyl-6-oxopyridine-2-carbonyl)-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonan-1-one
SMILESC[C@@H]1CN(C(=O)c2cccc(=O)n2C)C[C@]12CCN(c1ccsc1)C2=O
InChIInChI=1S/C19H21N3O3S/c1-13-10-21(17(24)15-4-3-5-16(23)20(15)2)12-19(13)7-8-22(18(19)25)14-6-9-26-11-14/h3-6,9,11,13H,7-8,10,12H2,1-2H3/t13-,19-/m1/s1
InChIKeyRCQGDLACZOHXIJ-BFUOFWGJSA-N
XLogP1.96
TPSA62.62 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(5S,9S)-9-methyl-7-(pyrazine-2-carbonyl)-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonan-1-one
CID 124831115
(5S,9S)-9-methyl-7-(oxane-4-carbonyl)-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonan-1-one
CID 97471836
8-(1-methylpyrrole-2-carbonyl)-2-thiophen-3-yl-2,8-diazaspiro[4.5]decan-1-one
CID 97449913
(5S,9S)-9-methyl-7-(6-methylpyridazin-3-yl)-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonan-1-one
CID 124795227
(5R,9R)-2,9-dimethyl-7-(2-thiophen-3-ylacetyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 124815499
(5S,9S)-7-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-9-methyl-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonan-1-one
CID 97471799
(5S,9S)-7-(6-chloropyridine-2-carbonyl)-9-methyl-2-pyridin-3-yl-2,7-diazaspiro[4.4]nonan-1-one
CID 131689971
8-benzoyl-2-thiophen-3-yl-2,8-diazaspiro[4.5]decan-1-one
CID 131688555
(5S)-9-(2-methylpyrazole-3-carbonyl)-2-thiophen-3-yl-2,9-diazaspiro[4.5]decan-1-one
CID 97395746
1-oxo-N-propan-2-yl-2-thiophen-3-yl-2,9-diazaspiro[4.5]decane-9-carboxamide
CID 118738782
9-(2-methylpyrazole-3-carbonyl)-2-thiophen-3-yl-2,9-diazaspiro[4.5]decan-1-one;2,2,2-trifluoroacetic acid
CID 155866496
(5S,9S)-2-ethyl-9-phenyl-7-(thiophene-3-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 97471900

Frequently Asked Questions

What is the IUPAC name of (5S,9S)-9-methyl-7-(1-methyl-6-oxopyridine-2-carbonyl)-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonan-1-one?
The IUPAC name of (5S,9S)-9-methyl-7-(1-methyl-6-oxopyridine-2-carbonyl)-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonan-1-one (CID 131690193) is (5S,9S)-9-methyl-7-(1-methyl-6-oxopyridine-2-carbonyl)-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonan-1-one.
What is the SMILES notation for (5S,9S)-9-methyl-7-(1-methyl-6-oxopyridine-2-carbonyl)-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonan-1-one?
The canonical SMILES for (5S,9S)-9-methyl-7-(1-methyl-6-oxopyridine-2-carbonyl)-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonan-1-one is C[C@@H]1CN(C(=O)c2cccc(=O)n2C)C[C@]12CCN(c1ccsc1)C2=O.
What is the InChIKey of (5S,9S)-9-methyl-7-(1-methyl-6-oxopyridine-2-carbonyl)-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonan-1-one?
The InChIKey is RCQGDLACZOHXIJ-BFUOFWGJSA-N. The full InChI is InChI=1S/C19H21N3O3S/c1-13-10-21(17(24)15-4-3-5-16(23)20(15)2)12-19(13)7-8-22(18(19)25)14-6-9-26-11-14/h3-6,9,11,13H,7-8,10,12H2,1-2H3/t13-,19-/m1/s1.
What are the key properties of (5S,9S)-9-methyl-7-(1-methyl-6-oxopyridine-2-carbonyl)-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonan-1-one?
(5S,9S)-9-methyl-7-(1-methyl-6-oxopyridine-2-carbonyl)-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonan-1-one has a molecular weight of 371.46 g/mol, XLogP of 1.96, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,9S)-9-methyl-7-(1-methyl-6-oxopyridine-2-carbonyl)-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonan-1-one is sourced from PubChem (CID 131690193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).