2-[(3S)-1-methylpyrrolidin-3-yl]-9-(6-oxo-1H-pyrazine-3-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one

C19H27N5O3 — CID 97285943

IUPAC2-[(3S)-1-methylpyrrolidin-3-yl]-9-(6-oxo-1H-pyrazine-3-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESCN1CC[C@H](N2CC3(CCC2=O)CCN(C(=O)c2c[nH]c(=O)cn2)CC3)C1
InChIInChI=1S/C19H27N5O3/c1-22-7-3-14(12-22)24-13-19(4-2-17(24)26)5-8-23(9-6-19)18(27)15-10-21-16(25)11-20-15/h10-11,14H,2-9,12-13H2,1H3,(H,21,25)/t14-/m0/s1
InChIKeyZYFYDQURBXMHPM-AWEZNQCLSA-N
MW373.46 g/mol
LogP0.32
Rot. Bonds2

About 2-[(3S)-1-methylpyrrolidin-3-yl]-9-(6-oxo-1H-pyrazine-3-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one

2-[(3S)-1-methylpyrrolidin-3-yl]-9-(6-oxo-1H-pyrazine-3-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 97285943) has the molecular formula C19H27N5O3 and a molecular weight of 373.46 g/mol. Its IUPAC name is 2-[(3S)-1-methylpyrrolidin-3-yl]-9-(6-oxo-1H-pyrazine-3-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-[(3S)-1-methylpyrrolidin-3-yl]-9-(6-oxo-1H-pyrazine-3-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID97285943
Molecular FormulaC19H27N5O3
Molecular Weight373.46 g/mol
Exact Mass373.21
IUPAC Name2-[(3S)-1-methylpyrrolidin-3-yl]-9-(6-oxo-1H-pyrazine-3-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESCN1CC[C@H](N2CC3(CCC2=O)CCN(C(=O)c2c[nH]c(=O)cn2)CC3)C1
InChIInChI=1S/C19H27N5O3/c1-22-7-3-14(12-22)24-13-19(4-2-17(24)26)5-8-23(9-6-19)18(27)15-10-21-16(25)11-20-15/h10-11,14H,2-9,12-13H2,1H3,(H,21,25)/t14-/m0/s1
InChIKeyZYFYDQURBXMHPM-AWEZNQCLSA-N
XLogP0.32
TPSA89.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(3S)-1-methylpyrrolidin-3-yl]-9-(6-oxo-1H-pyrazine-3-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-1-methylpyrrolidin-3-yl]-9-(6-oxo-1H-pyrazine-3-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-[(3S)-1-methylpyrrolidin-3-yl]-9-(6-oxo-1H-pyrazine-3-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one (CID 97285943) is 2-[(3S)-1-methylpyrrolidin-3-yl]-9-(6-oxo-1H-pyrazine-3-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-[(3S)-1-methylpyrrolidin-3-yl]-9-(6-oxo-1H-pyrazine-3-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-[(3S)-1-methylpyrrolidin-3-yl]-9-(6-oxo-1H-pyrazine-3-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one is CN1CC[C@H](N2CC3(CCC2=O)CCN(C(=O)c2c[nH]c(=O)cn2)CC3)C1.
What is the InChIKey of 2-[(3S)-1-methylpyrrolidin-3-yl]-9-(6-oxo-1H-pyrazine-3-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is ZYFYDQURBXMHPM-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H27N5O3/c1-22-7-3-14(12-22)24-13-19(4-2-17(24)26)5-8-23(9-6-19)18(27)15-10-21-16(25)11-20-15/h10-11,14H,2-9,12-13H2,1H3,(H,21,25)/t14-/m0/s1.
What are the key properties of 2-[(3S)-1-methylpyrrolidin-3-yl]-9-(6-oxo-1H-pyrazine-3-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one?
2-[(3S)-1-methylpyrrolidin-3-yl]-9-(6-oxo-1H-pyrazine-3-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 373.46 g/mol, XLogP of 0.32, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-1-methylpyrrolidin-3-yl]-9-(6-oxo-1H-pyrazine-3-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 97285943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).