[(2S,3S)-2-methyloxolan-3-yl]-(9-pyrazin-2-yl-1,9-diazaspiro[4.6]undecan-1-yl)methanone

C19H28N4O2 — CID 131679222

IUPAC[(2S,3S)-2-methyloxolan-3-yl]-(9-pyrazin-2-yl-1,9-diazaspiro[4.6]undecan-1-yl)methanone
SMILESC[C@@H]1OCC[C@@H]1C(=O)N1CCCC12CCCN(c1cnccn1)CC2
InChIInChI=1S/C19H28N4O2/c1-15-16(4-13-25-15)18(24)23-11-3-6-19(23)5-2-10-22(12-7-19)17-14-20-8-9-21-17/h8-9,14-16H,2-7,10-13H2,1H3/t15-,16-,19?/m0/s1
InChIKeyUGLNWAMGJLHHRN-NRAVZPKASA-N
MW344.46 g/mol
LogP2.25
Rot. Bonds2

About [(2S,3S)-2-methyloxolan-3-yl]-(9-pyrazin-2-yl-1,9-diazaspiro[4.6]undecan-1-yl)methanone

[(2S,3S)-2-methyloxolan-3-yl]-(9-pyrazin-2-yl-1,9-diazaspiro[4.6]undecan-1-yl)methanone (PubChem CID 131679222) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is [(2S,3S)-2-methyloxolan-3-yl]-(9-pyrazin-2-yl-1,9-diazaspiro[4.6]undecan-1-yl)methanone.

Molecular Properties

Compound Name[(2S,3S)-2-methyloxolan-3-yl]-(9-pyrazin-2-yl-1,9-diazaspiro[4.6]undecan-1-yl)methanone
PubChem CID131679222
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Name[(2S,3S)-2-methyloxolan-3-yl]-(9-pyrazin-2-yl-1,9-diazaspiro[4.6]undecan-1-yl)methanone
SMILESC[C@@H]1OCC[C@@H]1C(=O)N1CCCC12CCCN(c1cnccn1)CC2
InChIInChI=1S/C19H28N4O2/c1-15-16(4-13-25-15)18(24)23-11-3-6-19(23)5-2-10-22(12-7-19)17-14-20-8-9-21-17/h8-9,14-16H,2-7,10-13H2,1H3/t15-,16-,19?/m0/s1
InChIKeyUGLNWAMGJLHHRN-NRAVZPKASA-N
XLogP2.25
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(2R,3S)-2-methylmorpholin-3-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 120939440
1-(cyclopropylmethyl)-8-pyrazin-2-yl-1,8-diazaspiro[4.5]decane
CID 97396887
1-ethyl-8-pyrazin-2-yl-1,8-diazaspiro[4.5]decane;2,2,2-trifluoroacetic acid
CID 171692393
2-methyl-1-(2-methyloxolane-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 79759504
1-(2-methoxyethyl)-8-pyrazin-2-yl-1,8-diazaspiro[4.5]decane
CID 97396877
1-(cyclopropylmethyl)-7-pyrazin-2-yl-1,7-diazaspiro[3.5]nonane
CID 97399221
(2-methylpiperidin-1-yl)-(1-pyrazin-2-ylpiperidin-4-yl)methanone
CID 171473302
[(2R,6R)-2,6-dimethylmorpholin-4-yl]-[(3R)-1-pyrazin-2-ylpiperidin-3-yl]methanone
CID 36990549
(4-methylpyrrolidin-3-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 63713980
[(2R)-oxolan-2-yl]-(8-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl)methanone
CID 131652950
ethane;4-pyrazin-2-ylmorpholine
CID 143018931
5-[(3R)-1-pyrazin-2-ylpiperidin-3-yl]-1,3-oxazole
CID 125011496

Frequently Asked Questions

What is the IUPAC name of [(2S,3S)-2-methyloxolan-3-yl]-(9-pyrazin-2-yl-1,9-diazaspiro[4.6]undecan-1-yl)methanone?
The IUPAC name of [(2S,3S)-2-methyloxolan-3-yl]-(9-pyrazin-2-yl-1,9-diazaspiro[4.6]undecan-1-yl)methanone (CID 131679222) is [(2S,3S)-2-methyloxolan-3-yl]-(9-pyrazin-2-yl-1,9-diazaspiro[4.6]undecan-1-yl)methanone.
What is the SMILES notation for [(2S,3S)-2-methyloxolan-3-yl]-(9-pyrazin-2-yl-1,9-diazaspiro[4.6]undecan-1-yl)methanone?
The canonical SMILES for [(2S,3S)-2-methyloxolan-3-yl]-(9-pyrazin-2-yl-1,9-diazaspiro[4.6]undecan-1-yl)methanone is C[C@@H]1OCC[C@@H]1C(=O)N1CCCC12CCCN(c1cnccn1)CC2.
What is the InChIKey of [(2S,3S)-2-methyloxolan-3-yl]-(9-pyrazin-2-yl-1,9-diazaspiro[4.6]undecan-1-yl)methanone?
The InChIKey is UGLNWAMGJLHHRN-NRAVZPKASA-N. The full InChI is InChI=1S/C19H28N4O2/c1-15-16(4-13-25-15)18(24)23-11-3-6-19(23)5-2-10-22(12-7-19)17-14-20-8-9-21-17/h8-9,14-16H,2-7,10-13H2,1H3/t15-,16-,19?/m0/s1.
What are the key properties of [(2S,3S)-2-methyloxolan-3-yl]-(9-pyrazin-2-yl-1,9-diazaspiro[4.6]undecan-1-yl)methanone?
[(2S,3S)-2-methyloxolan-3-yl]-(9-pyrazin-2-yl-1,9-diazaspiro[4.6]undecan-1-yl)methanone has a molecular weight of 344.46 g/mol, XLogP of 2.25, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3S)-2-methyloxolan-3-yl]-(9-pyrazin-2-yl-1,9-diazaspiro[4.6]undecan-1-yl)methanone is sourced from PubChem (CID 131679222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).