(4R)-2-oxo-8-(5-pyrrolidin-1-ylpyridazin-3-yl)-1,8-diazaspiro[4.5]decane-4-carboxylic acid

C17H23N5O3 — CID 97203858

IUPAC(4R)-2-oxo-8-(5-pyrrolidin-1-ylpyridazin-3-yl)-1,8-diazaspiro[4.5]decane-4-carboxylic acid
SMILESO=C1C[C@@H](C(=O)O)C2(CCN(c3cc(N4CCCC4)cnn3)CC2)N1
InChIInChI=1S/C17H23N5O3/c23-15-10-13(16(24)25)17(19-15)3-7-22(8-4-17)14-9-12(11-18-20-14)21-5-1-2-6-21/h9,11,13H,1-8,10H2,(H,19,23)(H,24,25)/t13-/m0/s1
InChIKeyNUFIRKFNSWABAJ-ZDUSSCGKSA-N
MW345.40 g/mol
LogP0.64
Rot. Bonds3

About (4R)-2-oxo-8-(5-pyrrolidin-1-ylpyridazin-3-yl)-1,8-diazaspiro[4.5]decane-4-carboxylic acid

(4R)-2-oxo-8-(5-pyrrolidin-1-ylpyridazin-3-yl)-1,8-diazaspiro[4.5]decane-4-carboxylic acid (PubChem CID 97203858) has the molecular formula C17H23N5O3 and a molecular weight of 345.40 g/mol. Its IUPAC name is (4R)-2-oxo-8-(5-pyrrolidin-1-ylpyridazin-3-yl)-1,8-diazaspiro[4.5]decane-4-carboxylic acid.

Molecular Properties

Compound Name(4R)-2-oxo-8-(5-pyrrolidin-1-ylpyridazin-3-yl)-1,8-diazaspiro[4.5]decane-4-carboxylic acid
PubChem CID97203858
Molecular FormulaC17H23N5O3
Molecular Weight345.40 g/mol
Exact Mass345.18
IUPAC Name(4R)-2-oxo-8-(5-pyrrolidin-1-ylpyridazin-3-yl)-1,8-diazaspiro[4.5]decane-4-carboxylic acid
SMILESO=C1C[C@@H](C(=O)O)C2(CCN(c3cc(N4CCCC4)cnn3)CC2)N1
InChIInChI=1S/C17H23N5O3/c23-15-10-13(16(24)25)17(19-15)3-7-22(8-4-17)14-9-12(11-18-20-14)21-5-1-2-6-21/h9,11,13H,1-8,10H2,(H,19,23)(H,24,25)/t13-/m0/s1
InChIKeyNUFIRKFNSWABAJ-ZDUSSCGKSA-N
XLogP0.64
TPSA98.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(4R)-8-(2-amino-6-methylpyrimidin-4-yl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 97191552
8-[5-(methylsulfanylmethyl)-2-pyridinyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 72880615
6-pyrrolidin-1-ylpyridazine-4-carboxylic acid
CID 84664601
5-[4-(5-morpholin-4-ylpyridazin-3-yl)piperazine-1-carbonyl]piperidin-2-one
CID 122355421
(4S)-2-oxo-8-[3-(1H-pyrazol-4-yl)propanoyl]-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 97115702
(4R)-8-[[1-(3-methylphenyl)pyrazol-4-yl]methyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 124753241
(4S)-8-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 97210863
5-oxo-4-azaspiro[2.5]octane-8-carboxylic acid
CID 105434041
2-(6-pyrazol-1-ylpyridazin-3-yl)oxy-1-[4-(6-pyrrolidin-1-ylpyridazin-4-yl)piperazin-1-yl]ethanone
CID 72718281
N-[4-[4-(6-pyrrolidin-1-ylpyridazin-4-yl)piperazin-1-yl]sulfonylphenyl]acetamide
CID 71807528
(4S)-2-oxo-8-(2-phenylethylcarbamoyl)-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 97207799
(4S)-8-[(2,4-dimethoxyphenyl)methyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 97186659

Frequently Asked Questions

What is the IUPAC name of (4R)-2-oxo-8-(5-pyrrolidin-1-ylpyridazin-3-yl)-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
The IUPAC name of (4R)-2-oxo-8-(5-pyrrolidin-1-ylpyridazin-3-yl)-1,8-diazaspiro[4.5]decane-4-carboxylic acid (CID 97203858) is (4R)-2-oxo-8-(5-pyrrolidin-1-ylpyridazin-3-yl)-1,8-diazaspiro[4.5]decane-4-carboxylic acid.
What is the SMILES notation for (4R)-2-oxo-8-(5-pyrrolidin-1-ylpyridazin-3-yl)-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
The canonical SMILES for (4R)-2-oxo-8-(5-pyrrolidin-1-ylpyridazin-3-yl)-1,8-diazaspiro[4.5]decane-4-carboxylic acid is O=C1C[C@@H](C(=O)O)C2(CCN(c3cc(N4CCCC4)cnn3)CC2)N1.
What is the InChIKey of (4R)-2-oxo-8-(5-pyrrolidin-1-ylpyridazin-3-yl)-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
The InChIKey is NUFIRKFNSWABAJ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H23N5O3/c23-15-10-13(16(24)25)17(19-15)3-7-22(8-4-17)14-9-12(11-18-20-14)21-5-1-2-6-21/h9,11,13H,1-8,10H2,(H,19,23)(H,24,25)/t13-/m0/s1.
What are the key properties of (4R)-2-oxo-8-(5-pyrrolidin-1-ylpyridazin-3-yl)-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
(4R)-2-oxo-8-(5-pyrrolidin-1-ylpyridazin-3-yl)-1,8-diazaspiro[4.5]decane-4-carboxylic acid has a molecular weight of 345.40 g/mol, XLogP of 0.64, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-oxo-8-(5-pyrrolidin-1-ylpyridazin-3-yl)-1,8-diazaspiro[4.5]decane-4-carboxylic acid is sourced from PubChem (CID 97203858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).