3-(2-morpholin-4-yl-4-oxospiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-1'-yl)pyrazine-2-carbonitrile

C20H23N7O2 — CID 155504520

IUPAC3-(2-morpholin-4-yl-4-oxospiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-1'-yl)pyrazine-2-carbonitrile
SMILESN#Cc1nccnc1N1CCC2(CCc3c2nc(N2CCOCC2)[nH]c3=O)CC1
InChIInChI=1S/C20H23N7O2/c21-13-15-17(23-6-5-22-15)26-7-3-20(4-8-26)2-1-14-16(20)24-19(25-18(14)28)27-9-11-29-12-10-27/h5-6H,1-4,7-12H2,(H,24,25,28)
InChIKeyGWJKHOSKAOVDFO-UHFFFAOYSA-N
MW393.45 g/mol
LogP0.75
Rot. Bonds2

About 3-(2-morpholin-4-yl-4-oxospiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-1'-yl)pyrazine-2-carbonitrile

3-(2-morpholin-4-yl-4-oxospiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-1'-yl)pyrazine-2-carbonitrile (PubChem CID 155504520) has the molecular formula C20H23N7O2 and a molecular weight of 393.45 g/mol. Its IUPAC name is 3-(2-morpholin-4-yl-4-oxospiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-1'-yl)pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-(2-morpholin-4-yl-4-oxospiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-1'-yl)pyrazine-2-carbonitrile
PubChem CID155504520
Molecular FormulaC20H23N7O2
Molecular Weight393.45 g/mol
Exact Mass393.19
IUPAC Name3-(2-morpholin-4-yl-4-oxospiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-1'-yl)pyrazine-2-carbonitrile
SMILESN#Cc1nccnc1N1CCC2(CCc3c2nc(N2CCOCC2)[nH]c3=O)CC1
InChIInChI=1S/C20H23N7O2/c21-13-15-17(23-6-5-22-15)26-7-3-20(4-8-26)2-1-14-16(20)24-19(25-18(14)28)27-9-11-29-12-10-27/h5-6H,1-4,7-12H2,(H,24,25,28)
InChIKeyGWJKHOSKAOVDFO-UHFFFAOYSA-N
XLogP0.75
TPSA111.03 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

1'-isoquinolin-1-yl-2-morpholin-4-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one
CID 157016956
4,5,6-trimethyl-2-(2-morpholin-4-yl-4-oxospiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-1'-yl)pyridine-3-carbonitrile
CID 155506050
1'-(6-methylpyrimidin-4-yl)-2-morpholin-4-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one
CID 155506794
1'-(2-hydroxypropanoyl)-2-morpholin-4-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one
CID 156584666
1'-(1-methylcyclopropanecarbonyl)-2-morpholin-4-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one
CID 155503582
1'-(2,3-dihydro-1H-inden-2-yl)-2-morpholin-4-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one
CID 157011351
2-morpholin-4-yl-1'-(1H-pyrrole-2-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one
CID 155500772
1'-(5-methyl-1,3-oxazole-4-carbonyl)-2-morpholin-4-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one
CID 155504853
1'-(3-hydroxycyclobutanecarbonyl)-2-morpholin-4-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one
CID 156584740
2-morpholin-4-yl-1'-[2-(1H-pyrazol-5-yl)acetyl]spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one
CID 156585439
2-morpholin-4-yl-1'-(spiro[2.3]hexane-2-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one
CID 155494932
1'-(3-chloropyridine-4-carbonyl)-2-morpholin-4-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one
CID 155509351

Frequently Asked Questions

What is the IUPAC name of 3-(2-morpholin-4-yl-4-oxospiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-1'-yl)pyrazine-2-carbonitrile?
The IUPAC name of 3-(2-morpholin-4-yl-4-oxospiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-1'-yl)pyrazine-2-carbonitrile (CID 155504520) is 3-(2-morpholin-4-yl-4-oxospiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-1'-yl)pyrazine-2-carbonitrile.
What is the SMILES notation for 3-(2-morpholin-4-yl-4-oxospiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-1'-yl)pyrazine-2-carbonitrile?
The canonical SMILES for 3-(2-morpholin-4-yl-4-oxospiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-1'-yl)pyrazine-2-carbonitrile is N#Cc1nccnc1N1CCC2(CCc3c2nc(N2CCOCC2)[nH]c3=O)CC1.
What is the InChIKey of 3-(2-morpholin-4-yl-4-oxospiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-1'-yl)pyrazine-2-carbonitrile?
The InChIKey is GWJKHOSKAOVDFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N7O2/c21-13-15-17(23-6-5-22-15)26-7-3-20(4-8-26)2-1-14-16(20)24-19(25-18(14)28)27-9-11-29-12-10-27/h5-6H,1-4,7-12H2,(H,24,25,28).
What are the key properties of 3-(2-morpholin-4-yl-4-oxospiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-1'-yl)pyrazine-2-carbonitrile?
3-(2-morpholin-4-yl-4-oxospiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-1'-yl)pyrazine-2-carbonitrile has a molecular weight of 393.45 g/mol, XLogP of 0.75, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-morpholin-4-yl-4-oxospiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-1'-yl)pyrazine-2-carbonitrile is sourced from PubChem (CID 155504520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).