(6R)-2-(pyridin-4-ylmethyl)-8-quinoxalin-2-yl-2,8-diazaspiro[5.5]undecan-3-one

C23H25N5O — CID 97117074

IUPAC(6R)-2-(pyridin-4-ylmethyl)-8-quinoxalin-2-yl-2,8-diazaspiro[5.5]undecan-3-one
SMILESO=C1CC[C@@]2(CCCN(c3cnc4ccccc4n3)C2)CN1Cc1ccncc1
InChIInChI=1S/C23H25N5O/c29-22-6-10-23(17-28(22)15-18-7-11-24-12-8-18)9-3-13-27(16-23)21-14-25-19-4-1-2-5-20(19)26-21/h1-2,4-5,7-8,11-12,14H,3,6,9-10,13,15-17H2/t23-/m1/s1
InChIKeyZUBRYNJSRKJIAC-HSZRJFAPSA-N
MW387.49 g/mol
LogP3.43
Rot. Bonds3

About (6R)-2-(pyridin-4-ylmethyl)-8-quinoxalin-2-yl-2,8-diazaspiro[5.5]undecan-3-one

(6R)-2-(pyridin-4-ylmethyl)-8-quinoxalin-2-yl-2,8-diazaspiro[5.5]undecan-3-one (PubChem CID 97117074) has the molecular formula C23H25N5O and a molecular weight of 387.49 g/mol. Its IUPAC name is (6R)-2-(pyridin-4-ylmethyl)-8-quinoxalin-2-yl-2,8-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name(6R)-2-(pyridin-4-ylmethyl)-8-quinoxalin-2-yl-2,8-diazaspiro[5.5]undecan-3-one
PubChem CID97117074
Molecular FormulaC23H25N5O
Molecular Weight387.49 g/mol
Exact Mass387.21
IUPAC Name(6R)-2-(pyridin-4-ylmethyl)-8-quinoxalin-2-yl-2,8-diazaspiro[5.5]undecan-3-one
SMILESO=C1CC[C@@]2(CCCN(c3cnc4ccccc4n3)C2)CN1Cc1ccncc1
InChIInChI=1S/C23H25N5O/c29-22-6-10-23(17-28(22)15-18-7-11-24-12-8-18)9-3-13-27(16-23)21-14-25-19-4-1-2-5-20(19)26-21/h1-2,4-5,7-8,11-12,14H,3,6,9-10,13,15-17H2/t23-/m1/s1
InChIKeyZUBRYNJSRKJIAC-HSZRJFAPSA-N
XLogP3.43
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.49
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (6R)-2-(pyridin-4-ylmethyl)-8-quinoxalin-2-yl-2,8-diazaspiro[5.5]undecan-3-one with MolForge

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Launch Full Analysis

Related Compounds

8-(5-chloro-2-pyridinyl)-2-(pyridin-4-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70725420
2-(3-methylbutyl)-8-quinoxalin-2-yl-2,8-diazaspiro[5.5]undecan-3-one
CID 70785136
2-(pyridin-3-ylmethyl)-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-3-one
CID 70779359
(6S)-8-(5-ethyl-2-methylpyrimidin-4-yl)-2-(pyridin-4-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 95867499
(6R)-8-(6-methoxypyrimidin-4-yl)-2-(pyridin-4-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 97144190
(6R)-2-(pyridin-4-ylmethyl)-8-(1,3-thiazol-2-yl)-2,8-diazaspiro[5.5]undecan-3-one
CID 97148493
(6S)-8-(5-methoxypyrimidin-2-yl)-2-(pyridin-4-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 95884972
(6R)-8-pyrazin-2-yl-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 95889268
(6R)-8-(5-methyl-2-pyridinyl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 95870080
8-butyl-2-(pyridin-4-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70745912
(6R)-8-(6-methylpyridazin-3-yl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 95870283
2-[(5-methylpyrazin-2-yl)methyl]-8-pyridin-2-yl-2,8-diazaspiro[5.5]undecan-3-one
CID 70711857

Frequently Asked Questions

What is the IUPAC name of (6R)-2-(pyridin-4-ylmethyl)-8-quinoxalin-2-yl-2,8-diazaspiro[5.5]undecan-3-one?
The IUPAC name of (6R)-2-(pyridin-4-ylmethyl)-8-quinoxalin-2-yl-2,8-diazaspiro[5.5]undecan-3-one (CID 97117074) is (6R)-2-(pyridin-4-ylmethyl)-8-quinoxalin-2-yl-2,8-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for (6R)-2-(pyridin-4-ylmethyl)-8-quinoxalin-2-yl-2,8-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for (6R)-2-(pyridin-4-ylmethyl)-8-quinoxalin-2-yl-2,8-diazaspiro[5.5]undecan-3-one is O=C1CC[C@@]2(CCCN(c3cnc4ccccc4n3)C2)CN1Cc1ccncc1.
What is the InChIKey of (6R)-2-(pyridin-4-ylmethyl)-8-quinoxalin-2-yl-2,8-diazaspiro[5.5]undecan-3-one?
The InChIKey is ZUBRYNJSRKJIAC-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H25N5O/c29-22-6-10-23(17-28(22)15-18-7-11-24-12-8-18)9-3-13-27(16-23)21-14-25-19-4-1-2-5-20(19)26-21/h1-2,4-5,7-8,11-12,14H,3,6,9-10,13,15-17H2/t23-/m1/s1.
What are the key properties of (6R)-2-(pyridin-4-ylmethyl)-8-quinoxalin-2-yl-2,8-diazaspiro[5.5]undecan-3-one?
(6R)-2-(pyridin-4-ylmethyl)-8-quinoxalin-2-yl-2,8-diazaspiro[5.5]undecan-3-one has a molecular weight of 387.49 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-2-(pyridin-4-ylmethyl)-8-quinoxalin-2-yl-2,8-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 97117074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).