2-(dimethylamino)-8-[6-(pyrrolidine-1-carbonyl)pyrazin-2-yl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one

C18H25N7O2 — CID 135100603

IUPAC2-(dimethylamino)-8-[6-(pyrrolidine-1-carbonyl)pyrazin-2-yl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one
SMILESCN(C)C1=NC2(CCN(c3cncc(C(=O)N4CCCC4)n3)CC2)C(=O)N1
InChIInChI=1S/C18H25N7O2/c1-23(2)17-21-16(27)18(22-17)5-9-24(10-6-18)14-12-19-11-13(20-14)15(26)25-7-3-4-8-25/h11-12H,3-10H2,1-2H3,(H,21,22,27)
InChIKeyNXEHNMVARYWNEM-UHFFFAOYSA-N
MW371.45 g/mol
LogP0.10
Rot. Bonds2

About 2-(dimethylamino)-8-[6-(pyrrolidine-1-carbonyl)pyrazin-2-yl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one

2-(dimethylamino)-8-[6-(pyrrolidine-1-carbonyl)pyrazin-2-yl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one (PubChem CID 135100603) has the molecular formula C18H25N7O2 and a molecular weight of 371.45 g/mol. Its IUPAC name is 2-(dimethylamino)-8-[6-(pyrrolidine-1-carbonyl)pyrazin-2-yl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one.

Molecular Properties

Compound Name2-(dimethylamino)-8-[6-(pyrrolidine-1-carbonyl)pyrazin-2-yl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one
PubChem CID135100603
Molecular FormulaC18H25N7O2
Molecular Weight371.45 g/mol
Exact Mass371.21
IUPAC Name2-(dimethylamino)-8-[6-(pyrrolidine-1-carbonyl)pyrazin-2-yl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one
SMILESCN(C)C1=NC2(CCN(c3cncc(C(=O)N4CCCC4)n3)CC2)C(=O)N1
InChIInChI=1S/C18H25N7O2/c1-23(2)17-21-16(27)18(22-17)5-9-24(10-6-18)14-12-19-11-13(20-14)15(26)25-7-3-4-8-25/h11-12H,3-10H2,1-2H3,(H,21,22,27)
InChIKeyNXEHNMVARYWNEM-UHFFFAOYSA-N
XLogP0.10
TPSA94.03 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.45
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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
8-[6-(pyrrolidine-1-carbonyl)pyrazin-2-yl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 56915366
2-(dimethylamino)-8-(2-ethyl-6-oxo-1H-pyridine-4-carbonyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 118781576
8-(2H-benzotriazole-5-carbonyl)-2-(dimethylamino)-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 91782990
[6-[3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]pyrazin-2-yl]-pyrrolidin-1-ylmethanone
CID 135116874
[6-[(9aR)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]pyrazin-2-yl]-pyrrolidin-1-ylmethanone
CID 124814484
morpholin-4-yl-[6-(1-oxa-8-azaspiro[4.5]decan-8-yl)pyrazin-2-yl]methanone
CID 56872166
2-(dimethylamino)-8-(4,5,6,7-tetrahydro-2,1-benzoxazole-3-carbonyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 122131164
[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
(5S)-2-[6-(morpholine-4-carbonyl)pyrazin-2-yl]-2,7-diazaspiro[4.5]decan-6-one
CID 97152335

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-8-[6-(pyrrolidine-1-carbonyl)pyrazin-2-yl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
The IUPAC name of 2-(dimethylamino)-8-[6-(pyrrolidine-1-carbonyl)pyrazin-2-yl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one (CID 135100603) is 2-(dimethylamino)-8-[6-(pyrrolidine-1-carbonyl)pyrazin-2-yl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one.
What is the SMILES notation for 2-(dimethylamino)-8-[6-(pyrrolidine-1-carbonyl)pyrazin-2-yl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
The canonical SMILES for 2-(dimethylamino)-8-[6-(pyrrolidine-1-carbonyl)pyrazin-2-yl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one is CN(C)C1=NC2(CCN(c3cncc(C(=O)N4CCCC4)n3)CC2)C(=O)N1.
What is the InChIKey of 2-(dimethylamino)-8-[6-(pyrrolidine-1-carbonyl)pyrazin-2-yl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
The InChIKey is NXEHNMVARYWNEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N7O2/c1-23(2)17-21-16(27)18(22-17)5-9-24(10-6-18)14-12-19-11-13(20-14)15(26)25-7-3-4-8-25/h11-12H,3-10H2,1-2H3,(H,21,22,27).
What are the key properties of 2-(dimethylamino)-8-[6-(pyrrolidine-1-carbonyl)pyrazin-2-yl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
2-(dimethylamino)-8-[6-(pyrrolidine-1-carbonyl)pyrazin-2-yl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one has a molecular weight of 371.45 g/mol, XLogP of 0.10, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-8-[6-(pyrrolidine-1-carbonyl)pyrazin-2-yl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one is sourced from PubChem (CID 135100603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).