2-[(5-methylpyrazin-2-yl)methyl]-9-[2-[(3R)-oxolan-3-yl]ethyl]-2,9-diazaspiro[5.5]undecan-3-one

C21H32N4O2 — CID 97133581

IUPAC2-[(5-methylpyrazin-2-yl)methyl]-9-[2-[(3R)-oxolan-3-yl]ethyl]-2,9-diazaspiro[5.5]undecan-3-one
SMILESCc1cnc(CN2CC3(CCC2=O)CCN(CC[C@@H]2CCOC2)CC3)cn1
InChIInChI=1S/C21H32N4O2/c1-17-12-23-19(13-22-17)14-25-16-21(5-2-20(25)26)6-9-24(10-7-21)8-3-18-4-11-27-15-18/h12-13,18H,2-11,14-16H2,1H3/t18-/m1/s1
InChIKeyAIBGYFWMRQEHSR-GOSISDBHSA-N
MW372.51 g/mol
LogP2.42
Rot. Bonds5

About 2-[(5-methylpyrazin-2-yl)methyl]-9-[2-[(3R)-oxolan-3-yl]ethyl]-2,9-diazaspiro[5.5]undecan-3-one

2-[(5-methylpyrazin-2-yl)methyl]-9-[2-[(3R)-oxolan-3-yl]ethyl]-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 97133581) has the molecular formula C21H32N4O2 and a molecular weight of 372.51 g/mol. Its IUPAC name is 2-[(5-methylpyrazin-2-yl)methyl]-9-[2-[(3R)-oxolan-3-yl]ethyl]-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-[(5-methylpyrazin-2-yl)methyl]-9-[2-[(3R)-oxolan-3-yl]ethyl]-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID97133581
Molecular FormulaC21H32N4O2
Molecular Weight372.51 g/mol
Exact Mass372.25
IUPAC Name2-[(5-methylpyrazin-2-yl)methyl]-9-[2-[(3R)-oxolan-3-yl]ethyl]-2,9-diazaspiro[5.5]undecan-3-one
SMILESCc1cnc(CN2CC3(CCC2=O)CCN(CC[C@@H]2CCOC2)CC3)cn1
InChIInChI=1S/C21H32N4O2/c1-17-12-23-19(13-22-17)14-25-16-21(5-2-20(25)26)6-9-24(10-7-21)8-3-18-4-11-27-15-18/h12-13,18H,2-11,14-16H2,1H3/t18-/m1/s1
InChIKeyAIBGYFWMRQEHSR-GOSISDBHSA-N
XLogP2.42
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3-methyl-2-pyrazinyl)methyl]-7-(tetrahydro-2H-pyran-4-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 72864737
9-(2-Pyrazinylcarbonyl)-2-(tetrahydro-2-furanylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72871443
2-[(5-methylpyrazin-2-yl)methyl]-9-L-norvalyl-2,9-diazaspiro[5.5]undecan-3-one
CID 72887835
7-[(5-Methylpyrazin-2-yl)methyl]-2-oxa-7-azaspiro[4.5]decan-8-one
CID 72866099
(6S)-8-(2-ethoxyacetyl)-2-[(5-methylpyrazin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 96398918
(6R)-8-(3-cyclopropylpropanoyl)-2-[(5-methylpyrazin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 96402823
propyl (6S)-2-[(5-methylpyrazin-2-yl)methyl]-3-oxo-2,8-diazaspiro[5.5]undecane-8-carboxylate
CID 96575124
propan-2-yl (6S)-2-[(5-methylpyrazin-2-yl)methyl]-3-oxo-2,8-diazaspiro[5.5]undecane-8-carboxylate
CID 96579458
(6R)-2-[(5-methylpyrazin-2-yl)methyl]-8-(3,3,3-trifluoropropanoyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 97124921
(6S)-8-(2-butoxyacetyl)-2-[(5-methylpyrazin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 97136449
2-[(5-Methylpyrazin-2-YL)methyl]-9-(3,3,3-trifluoropropanoyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72843660
2-[(5-Methylpyrazin-2-YL)methyl]-8-(3,3,3-trifluoropropanoyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 72873419

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methylpyrazin-2-yl)methyl]-9-[2-[(3R)-oxolan-3-yl]ethyl]-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-[(5-methylpyrazin-2-yl)methyl]-9-[2-[(3R)-oxolan-3-yl]ethyl]-2,9-diazaspiro[5.5]undecan-3-one (CID 97133581) is 2-[(5-methylpyrazin-2-yl)methyl]-9-[2-[(3R)-oxolan-3-yl]ethyl]-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-[(5-methylpyrazin-2-yl)methyl]-9-[2-[(3R)-oxolan-3-yl]ethyl]-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-[(5-methylpyrazin-2-yl)methyl]-9-[2-[(3R)-oxolan-3-yl]ethyl]-2,9-diazaspiro[5.5]undecan-3-one is Cc1cnc(CN2CC3(CCC2=O)CCN(CC[C@@H]2CCOC2)CC3)cn1.
What is the InChIKey of 2-[(5-methylpyrazin-2-yl)methyl]-9-[2-[(3R)-oxolan-3-yl]ethyl]-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is AIBGYFWMRQEHSR-GOSISDBHSA-N. The full InChI is InChI=1S/C21H32N4O2/c1-17-12-23-19(13-22-17)14-25-16-21(5-2-20(25)26)6-9-24(10-7-21)8-3-18-4-11-27-15-18/h12-13,18H,2-11,14-16H2,1H3/t18-/m1/s1.
What are the key properties of 2-[(5-methylpyrazin-2-yl)methyl]-9-[2-[(3R)-oxolan-3-yl]ethyl]-2,9-diazaspiro[5.5]undecan-3-one?
2-[(5-methylpyrazin-2-yl)methyl]-9-[2-[(3R)-oxolan-3-yl]ethyl]-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 372.51 g/mol, XLogP of 2.42, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methylpyrazin-2-yl)methyl]-9-[2-[(3R)-oxolan-3-yl]ethyl]-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 97133581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).