8-[6-(pyrrolidine-1-carbonyl)pyrazin-2-yl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid

C18H25N5O3 — CID 56915366

IUPAC8-[6-(pyrrolidine-1-carbonyl)pyrazin-2-yl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid
SMILESO=C(O)C1CC2(CCN(c3cncc(C(=O)N4CCCC4)n3)CC2)CN1
InChIInChI=1S/C18H25N5O3/c24-16(23-5-1-2-6-23)14-10-19-11-15(21-14)22-7-3-18(4-8-22)9-13(17(25)26)20-12-18/h10-11,13,20H,1-9,12H2,(H,25,26)
InChIKeyXFOFBVJKSBEXTN-UHFFFAOYSA-N
MW359.43 g/mol
LogP0.75
Rot. Bonds3

About 8-[6-(pyrrolidine-1-carbonyl)pyrazin-2-yl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid

8-[6-(pyrrolidine-1-carbonyl)pyrazin-2-yl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid (PubChem CID 56915366) has the molecular formula C18H25N5O3 and a molecular weight of 359.43 g/mol. Its IUPAC name is 8-[6-(pyrrolidine-1-carbonyl)pyrazin-2-yl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid.

Molecular Properties

Compound Name8-[6-(pyrrolidine-1-carbonyl)pyrazin-2-yl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid
PubChem CID56915366
Molecular FormulaC18H25N5O3
Molecular Weight359.43 g/mol
Exact Mass359.20
IUPAC Name8-[6-(pyrrolidine-1-carbonyl)pyrazin-2-yl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid
SMILESO=C(O)C1CC2(CCN(c3cncc(C(=O)N4CCCC4)n3)CC2)CN1
InChIInChI=1S/C18H25N5O3/c24-16(23-5-1-2-6-23)14-10-19-11-15(21-14)22-7-3-18(4-8-22)9-13(17(25)26)20-12-18/h10-11,13,20H,1-9,12H2,(H,25,26)
InChIKeyXFOFBVJKSBEXTN-UHFFFAOYSA-N
XLogP0.75
TPSA98.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

piperidin-1-yl-(6-piperidin-1-ylpyrazin-2-yl)methanone
CID 165345728
1'-[6-(pyrrolidine-1-carbonyl)pyrazin-2-yl]spiro[1H-indole-3,4'-piperidine]-2-one
CID 135116488
2-(dimethylamino)-8-[6-(pyrrolidine-1-carbonyl)pyrazin-2-yl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 135100603
(3S)-8-(4,6-dimethylpyridine-3-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 97120302
(3R)-8-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 97132058
pyrrolidin-1-yl-[6-[2-(trifluoromethyl)morpholin-4-yl]pyrazin-2-yl]methanone
CID 56864446
morpholin-4-yl-[6-(1-oxa-8-azaspiro[4.5]decan-8-yl)pyrazin-2-yl]methanone
CID 56872166
[6-[(3aS,7aR)-5-methyl-1,3,3a,4,7,7a-hexahydroisoindol-2-yl]pyrazin-2-yl]-pyrrolidin-1-ylmethanone
CID 133130425
[6-(1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)pyrazin-2-yl]-pyrrolidin-1-ylmethanone
CID 135097694
[6-(9-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)pyrazin-2-yl]-pyrrolidin-1-ylmethanone
CID 138379040
2-ethyl-8-[6-(4-methylpiperazine-1-carbonyl)pyrazin-2-yl]-2,8-diazaspiro[4.5]decan-3-one
CID 72866242
(3S)-8-pyrrolidin-1-ylsulfonyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 97113028

Frequently Asked Questions

What is the IUPAC name of 8-[6-(pyrrolidine-1-carbonyl)pyrazin-2-yl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The IUPAC name of 8-[6-(pyrrolidine-1-carbonyl)pyrazin-2-yl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid (CID 56915366) is 8-[6-(pyrrolidine-1-carbonyl)pyrazin-2-yl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid.
What is the SMILES notation for 8-[6-(pyrrolidine-1-carbonyl)pyrazin-2-yl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The canonical SMILES for 8-[6-(pyrrolidine-1-carbonyl)pyrazin-2-yl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid is O=C(O)C1CC2(CCN(c3cncc(C(=O)N4CCCC4)n3)CC2)CN1.
What is the InChIKey of 8-[6-(pyrrolidine-1-carbonyl)pyrazin-2-yl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The InChIKey is XFOFBVJKSBEXTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O3/c24-16(23-5-1-2-6-23)14-10-19-11-15(21-14)22-7-3-18(4-8-22)9-13(17(25)26)20-12-18/h10-11,13,20H,1-9,12H2,(H,25,26).
What are the key properties of 8-[6-(pyrrolidine-1-carbonyl)pyrazin-2-yl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
8-[6-(pyrrolidine-1-carbonyl)pyrazin-2-yl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid has a molecular weight of 359.43 g/mol, XLogP of 0.75, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[6-(pyrrolidine-1-carbonyl)pyrazin-2-yl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid is sourced from PubChem (CID 56915366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).