2-(pyridin-3-ylmethyl)-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-3-one

C23H25N5O — CID 70779359

IUPAC2-(pyridin-3-ylmethyl)-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-3-one
SMILESO=C1CCC2(CCN(c3cnc4ccccc4n3)CC2)CN1Cc1cccnc1
InChIInChI=1S/C23H25N5O/c29-22-7-8-23(17-28(22)16-18-4-3-11-24-14-18)9-12-27(13-10-23)21-15-25-19-5-1-2-6-20(19)26-21/h1-6,11,14-15H,7-10,12-13,16-17H2
InChIKeyPVJSICRXRCJQDE-UHFFFAOYSA-N
MW387.49 g/mol
LogP3.43
Rot. Bonds3

About 2-(pyridin-3-ylmethyl)-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-3-one

2-(pyridin-3-ylmethyl)-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 70779359) has the molecular formula C23H25N5O and a molecular weight of 387.49 g/mol. Its IUPAC name is 2-(pyridin-3-ylmethyl)-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-(pyridin-3-ylmethyl)-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID70779359
Molecular FormulaC23H25N5O
Molecular Weight387.49 g/mol
Exact Mass387.21
IUPAC Name2-(pyridin-3-ylmethyl)-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-3-one
SMILESO=C1CCC2(CCN(c3cnc4ccccc4n3)CC2)CN1Cc1cccnc1
InChIInChI=1S/C23H25N5O/c29-22-7-8-23(17-28(22)16-18-4-3-11-24-14-18)9-12-27(13-10-23)21-15-25-19-5-1-2-6-20(19)26-21/h1-6,11,14-15H,7-10,12-13,16-17H2
InChIKeyPVJSICRXRCJQDE-UHFFFAOYSA-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

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Related Compounds

(6R)-2-(pyridin-4-ylmethyl)-8-quinoxalin-2-yl-2,8-diazaspiro[5.5]undecan-3-one
CID 97117074
2-[2-(1H-imidazol-5-yl)ethyl]-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-3-one
CID 70759551
2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxaline
CID 33378276
(6R)-8-pyrazin-2-yl-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 95889268
2-(3-phenylpropyl)-8-quinoxalin-2-yl-2,8-diazaspiro[4.5]decan-3-one
CID 72854437
9-[(2S)-2-amino-3-hydroxypropanoyl]-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72879649
9-(4-methylpiperazine-1-carbonyl)-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72937261
(6R)-8-(5-methyl-2-pyridinyl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 95870080
9-[(2-methylpyrazol-3-yl)methyl]-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 98895621
9-ethylsulfonyl-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one;2,2,2-trifluoroacetic acid
CID 155840778
9-(6-methylpyrimidin-4-yl)-2-(2-pyridin-3-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70713152
9-(2-propoxypropanoyl)-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72872755

Frequently Asked Questions

What is the IUPAC name of 2-(pyridin-3-ylmethyl)-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-(pyridin-3-ylmethyl)-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-3-one (CID 70779359) is 2-(pyridin-3-ylmethyl)-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-(pyridin-3-ylmethyl)-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-(pyridin-3-ylmethyl)-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-3-one is O=C1CCC2(CCN(c3cnc4ccccc4n3)CC2)CN1Cc1cccnc1.
What is the InChIKey of 2-(pyridin-3-ylmethyl)-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is PVJSICRXRCJQDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O/c29-22-7-8-23(17-28(22)16-18-4-3-11-24-14-18)9-12-27(13-10-23)21-15-25-19-5-1-2-6-20(19)26-21/h1-6,11,14-15H,7-10,12-13,16-17H2.
What are the key properties of 2-(pyridin-3-ylmethyl)-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-3-one?
2-(pyridin-3-ylmethyl)-9-quinoxalin-2-yl-2,9-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 2-(pyridin-3-ylmethyl)-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 70779359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).