pyrazin-2-yl-[(5S)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]methanone

C17H20N6O — CID 3235354

IUPACpyrazin-2-yl-[(5S)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]methanone
SMILESO=C(c1cnccn1)N1CCC[C@@]2(CCN(c3ncccn3)C2)C1
InChIInChI=1S/C17H20N6O/c24-15(14-11-18-7-8-19-14)22-9-1-3-17(12-22)4-10-23(13-17)16-20-5-2-6-21-16/h2,5-8,11H,1,3-4,9-10,12-13H2/t17-/m1/s1
InChIKeyCAFIDQHVUUYSMM-QGZVFWFLSA-N
MW324.39 g/mol
LogP1.40
Rot. Bonds2

About pyrazin-2-yl-[(5S)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]methanone

pyrazin-2-yl-[(5S)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]methanone (PubChem CID 3235354) has the molecular formula C17H20N6O and a molecular weight of 324.39 g/mol. Its IUPAC name is pyrazin-2-yl-[(5S)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]methanone.

Molecular Properties

Compound Namepyrazin-2-yl-[(5S)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]methanone
PubChem CID3235354
Molecular FormulaC17H20N6O
Molecular Weight324.39 g/mol
Exact Mass324.17
IUPAC Namepyrazin-2-yl-[(5S)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]methanone
SMILESO=C(c1cnccn1)N1CCC[C@@]2(CCN(c3ncccn3)C2)C1
InChIInChI=1S/C17H20N6O/c24-15(14-11-18-7-8-19-14)22-9-1-3-17(12-22)4-10-23(13-17)16-20-5-2-6-21-16/h2,5-8,11H,1,3-4,9-10,12-13H2/t17-/m1/s1
InChIKeyCAFIDQHVUUYSMM-QGZVFWFLSA-N
XLogP1.40
TPSA75.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.39
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze pyrazin-2-yl-[(5S)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]methanone with MolForge

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Related Compounds

pyrazin-2-yl-[(5R)-2-pyridin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]methanone
CID 97450157
[(5S)-7-(pyrazine-2-carbonyl)-2,7-diazaspiro[4.5]decan-2-yl]-pyridin-4-ylmethanone
CID 97370481
pyrazin-2-yl-(8-pyrimidin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl)methanone
CID 131662756
furan-2-yl-[(5S)-7-(pyrazine-2-carbonyl)-2,7-diazaspiro[4.5]decan-2-yl]methanone
CID 97370476
[(5S)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]-thiophen-3-ylmethanone
CID 97450078
[2-(6-methyl-2-pyridinyl)-2,7-diazaspiro[4.5]decan-7-yl]-pyrazin-2-ylmethanone;2,2,2-trifluoroacetic acid
CID 155827028
phenyl (5S)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decane-7-carboxylate
CID 3234058
[2-(furan-3-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]-pyrazin-2-ylmethanone
CID 131655788
8-(pyrazine-2-carbonyl)-2-(2-pyridin-2-ylethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 72900123
(6S)-8-(pyrazine-2-carbonyl)-2-(2-pyridin-2-ylethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 97137769
pyrazin-2-yl-(8-pyridin-2-yl-2,8-diazaspiro[4.5]decan-2-yl)methanone;2,2,2-trifluoroacetic acid
CID 155827065
pyrazin-2-yl-(11-pyridin-3-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)methanone;2,2,2-trifluoroacetic acid
CID 155853029

Frequently Asked Questions

What is the IUPAC name of pyrazin-2-yl-[(5S)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]methanone?
The IUPAC name of pyrazin-2-yl-[(5S)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]methanone (CID 3235354) is pyrazin-2-yl-[(5S)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]methanone.
What is the SMILES notation for pyrazin-2-yl-[(5S)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]methanone?
The canonical SMILES for pyrazin-2-yl-[(5S)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]methanone is O=C(c1cnccn1)N1CCC[C@@]2(CCN(c3ncccn3)C2)C1.
What is the InChIKey of pyrazin-2-yl-[(5S)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]methanone?
The InChIKey is CAFIDQHVUUYSMM-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H20N6O/c24-15(14-11-18-7-8-19-14)22-9-1-3-17(12-22)4-10-23(13-17)16-20-5-2-6-21-16/h2,5-8,11H,1,3-4,9-10,12-13H2/t17-/m1/s1.
What are the key properties of pyrazin-2-yl-[(5S)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]methanone?
pyrazin-2-yl-[(5S)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]methanone has a molecular weight of 324.39 g/mol, XLogP of 1.40, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for pyrazin-2-yl-[(5S)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]methanone is sourced from PubChem (CID 3235354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).