(7R)-5-(8-cyanoquinoxalin-5-yl)-N-(1-methylpiperidin-4-yl)-5-azaspiro[2.4]heptane-7-carboxamide

C22H26N6O — CID 146424788

IUPAC(7R)-5-(8-cyanoquinoxalin-5-yl)-N-(1-methylpiperidin-4-yl)-5-azaspiro[2.4]heptane-7-carboxamide
SMILESCN1CCC(NC(=O)[C@H]2CN(c3ccc(C#N)c4nccnc34)CC23CC3)CC1
InChIInChI=1S/C22H26N6O/c1-27-10-4-16(5-11-27)26-21(29)17-13-28(14-22(17)6-7-22)18-3-2-15(12-23)19-20(18)25-9-8-24-19/h2-3,8-9,16-17H,4-7,10-11,13-14H2,1H3,(H,26,29)/t17-/m1/s1
InChIKeyYAFRKHWZRDFWNG-QGZVFWFLSA-N
MW390.49 g/mol
LogP1.93
Rot. Bonds3

About (7R)-5-(8-cyanoquinoxalin-5-yl)-N-(1-methylpiperidin-4-yl)-5-azaspiro[2.4]heptane-7-carboxamide

(7R)-5-(8-cyanoquinoxalin-5-yl)-N-(1-methylpiperidin-4-yl)-5-azaspiro[2.4]heptane-7-carboxamide (PubChem CID 146424788) has the molecular formula C22H26N6O and a molecular weight of 390.49 g/mol. Its IUPAC name is (7R)-5-(8-cyanoquinoxalin-5-yl)-N-(1-methylpiperidin-4-yl)-5-azaspiro[2.4]heptane-7-carboxamide.

Molecular Properties

Compound Name(7R)-5-(8-cyanoquinoxalin-5-yl)-N-(1-methylpiperidin-4-yl)-5-azaspiro[2.4]heptane-7-carboxamide
PubChem CID146424788
Molecular FormulaC22H26N6O
Molecular Weight390.49 g/mol
Exact Mass390.22
IUPAC Name(7R)-5-(8-cyanoquinoxalin-5-yl)-N-(1-methylpiperidin-4-yl)-5-azaspiro[2.4]heptane-7-carboxamide
SMILESCN1CCC(NC(=O)[C@H]2CN(c3ccc(C#N)c4nccnc34)CC23CC3)CC1
InChIInChI=1S/C22H26N6O/c1-27-10-4-16(5-11-27)26-21(29)17-13-28(14-22(17)6-7-22)18-3-2-15(12-23)19-20(18)25-9-8-24-19/h2-3,8-9,16-17H,4-7,10-11,13-14H2,1H3,(H,26,29)/t17-/m1/s1
InChIKeyYAFRKHWZRDFWNG-QGZVFWFLSA-N
XLogP1.93
TPSA85.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (7R)-5-(8-cyanoquinoxalin-5-yl)-N-(1-methylpiperidin-4-yl)-5-azaspiro[2.4]heptane-7-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

1-(8-cyanoquinolin-5-yl)-5-fluoro-5-methyl-N-(1-methylpiperidin-4-yl)piperidine-3-carboxamide
CID 170237612
5-(8-cyanoquinoxalin-5-yl)-N-[[(2S)-morpholin-2-yl]methyl]-5-azaspiro[2.4]heptane-7-carboxamide
CID 146440460
1-(8-cyanoquinoxalin-5-yl)-5-methyl-N-(1-methylpiperidin-3-yl)piperidine-3-carboxamide
CID 129241249
(3S,4S)-1-(8-cyanoquinolin-5-yl)-N-(1-methylpiperidin-4-yl)-4-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 146440477
N-[(1S,3R)-3-aminocyclohexyl]-5-[8-(trifluoromethyl)quinoxalin-5-yl]-5-azaspiro[2.4]heptane-7-carboxamide
CID 146440658
N-[(3R,5S)-1-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]cyclopentanecarboxamide
CID 166764754
(2R)-N-[(3R,5S)-1-(8-cyanoquinoxalin-5-yl)-5-(trifluoromethyl)piperidin-3-yl]-2-(4-methylpiperazin-1-yl)propanamide
CID 146329280
N-[(3R,4R)-1-(8-cyanoquinoxalin-5-yl)-4-methylpyrrolidin-3-yl]-2-[(3R)-1-methylpyrrolidin-3-yl]acetamide
CID 137423766
N-[(3R,4R)-1-(8-cyanoquinoxalin-5-yl)-4-methylpyrrolidin-3-yl]-2-[(3S)-1-methylpyrrolidin-3-yl]acetamide
CID 137423816
N-[1-(8-cyanoquinoxalin-5-yl)-5,5-difluoropiperidin-3-yl]-2-morpholin-4-ylpropanamide
CID 129241013
N-[(3R,4R)-1-(8-cyanoquinoxalin-5-yl)-4-methylpyrrolidin-3-yl]-2-[(4S)-3,3-difluoro-1-methylpiperidin-4-yl]acetamide
CID 137423882
N-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-5-[8-(trifluoromethyl)quinoxalin-5-yl]-5-azaspiro[2.4]heptane-7-carboxamide
CID 146440447

Frequently Asked Questions

What is the IUPAC name of (7R)-5-(8-cyanoquinoxalin-5-yl)-N-(1-methylpiperidin-4-yl)-5-azaspiro[2.4]heptane-7-carboxamide?
The IUPAC name of (7R)-5-(8-cyanoquinoxalin-5-yl)-N-(1-methylpiperidin-4-yl)-5-azaspiro[2.4]heptane-7-carboxamide (CID 146424788) is (7R)-5-(8-cyanoquinoxalin-5-yl)-N-(1-methylpiperidin-4-yl)-5-azaspiro[2.4]heptane-7-carboxamide.
What is the SMILES notation for (7R)-5-(8-cyanoquinoxalin-5-yl)-N-(1-methylpiperidin-4-yl)-5-azaspiro[2.4]heptane-7-carboxamide?
The canonical SMILES for (7R)-5-(8-cyanoquinoxalin-5-yl)-N-(1-methylpiperidin-4-yl)-5-azaspiro[2.4]heptane-7-carboxamide is CN1CCC(NC(=O)[C@H]2CN(c3ccc(C#N)c4nccnc34)CC23CC3)CC1.
What is the InChIKey of (7R)-5-(8-cyanoquinoxalin-5-yl)-N-(1-methylpiperidin-4-yl)-5-azaspiro[2.4]heptane-7-carboxamide?
The InChIKey is YAFRKHWZRDFWNG-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H26N6O/c1-27-10-4-16(5-11-27)26-21(29)17-13-28(14-22(17)6-7-22)18-3-2-15(12-23)19-20(18)25-9-8-24-19/h2-3,8-9,16-17H,4-7,10-11,13-14H2,1H3,(H,26,29)/t17-/m1/s1.
What are the key properties of (7R)-5-(8-cyanoquinoxalin-5-yl)-N-(1-methylpiperidin-4-yl)-5-azaspiro[2.4]heptane-7-carboxamide?
(7R)-5-(8-cyanoquinoxalin-5-yl)-N-(1-methylpiperidin-4-yl)-5-azaspiro[2.4]heptane-7-carboxamide has a molecular weight of 390.49 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-5-(8-cyanoquinoxalin-5-yl)-N-(1-methylpiperidin-4-yl)-5-azaspiro[2.4]heptane-7-carboxamide is sourced from PubChem (CID 146424788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).