11-[(2-fluorophenyl)methyl]-3-pyrazin-2-yl-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one

C20H23FN4O2 — CID 155509203

IUPAC11-[(2-fluorophenyl)methyl]-3-pyrazin-2-yl-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one
SMILESO=C1CCOC2(CCN(c3cnccn3)CC2)CN1Cc1ccccc1F
InChIInChI=1S/C20H23FN4O2/c21-17-4-2-1-3-16(17)14-25-15-20(27-12-5-19(25)26)6-10-24(11-7-20)18-13-22-8-9-23-18/h1-4,8-9,13H,5-7,10-12,14-15H2
InChIKeyUIUTTYQUDSGKJH-UHFFFAOYSA-N
MW370.43 g/mol
LogP2.40
Rot. Bonds3

About 11-[(2-fluorophenyl)methyl]-3-pyrazin-2-yl-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one

11-[(2-fluorophenyl)methyl]-3-pyrazin-2-yl-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one (PubChem CID 155509203) has the molecular formula C20H23FN4O2 and a molecular weight of 370.43 g/mol. Its IUPAC name is 11-[(2-fluorophenyl)methyl]-3-pyrazin-2-yl-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one.

Molecular Properties

Compound Name11-[(2-fluorophenyl)methyl]-3-pyrazin-2-yl-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one
PubChem CID155509203
Molecular FormulaC20H23FN4O2
Molecular Weight370.43 g/mol
Exact Mass370.18
IUPAC Name11-[(2-fluorophenyl)methyl]-3-pyrazin-2-yl-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one
SMILESO=C1CCOC2(CCN(c3cnccn3)CC2)CN1Cc1ccccc1F
InChIInChI=1S/C20H23FN4O2/c21-17-4-2-1-3-16(17)14-25-15-20(27-12-5-19(25)26)6-10-24(11-7-20)18-13-22-8-9-23-18/h1-4,8-9,13H,5-7,10-12,14-15H2
InChIKeyUIUTTYQUDSGKJH-UHFFFAOYSA-N
XLogP2.40
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-Methyl-9-(2-phenylethyl)-4-pyrazin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118567605
N-[(4-Fluorophenyl)methyl]-1-(pyrazin-2-YL)piperidine-4-carboxamide
CID 3222637
1-[(3-Fluorophenyl)methyl]-4-(3-methoxypyrazin-2-yl)piperazin-2-one
CID 39752260
1-(4-Fluorobenzyl)-4-(3-methoxy-2-pyrazinyl)-2-piperazinone
CID 39773499
4-(4-Fluorobenzyl)-3-isopropyl-1-pyrazin-2-yl-1,4-diazepan-5-one
CID 56866232
4-Benzyl-9-[(1-methylimidazol-2-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 97451127
4-(3-Fluorophenyl)-8-pyrazin-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one
CID 118740877
1-[2-[3-[4-[(2-Fluorophenyl)methyl]piperazin-1-yl]pyrazin-2-yl]oxyethyl]pyrrolidine-2,5-dione
CID 172436841
N-(3-fluorobenzyl)-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 23609090
N-[(2-Fluorophenyl)methyl]-1-(pyrazin-2-YL)piperidine-4-carboxamide
CID 3222638
N-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-(4-pyrazin-2-ylpiperazin-1-yl)acetamide
CID 18146908
N-cyclopropyl-N-[(2-fluorophenyl)methyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 38792386

Frequently Asked Questions

What is the IUPAC name of 11-[(2-fluorophenyl)methyl]-3-pyrazin-2-yl-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one?
The IUPAC name of 11-[(2-fluorophenyl)methyl]-3-pyrazin-2-yl-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one (CID 155509203) is 11-[(2-fluorophenyl)methyl]-3-pyrazin-2-yl-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one.
What is the SMILES notation for 11-[(2-fluorophenyl)methyl]-3-pyrazin-2-yl-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one?
The canonical SMILES for 11-[(2-fluorophenyl)methyl]-3-pyrazin-2-yl-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one is O=C1CCOC2(CCN(c3cnccn3)CC2)CN1Cc1ccccc1F.
What is the InChIKey of 11-[(2-fluorophenyl)methyl]-3-pyrazin-2-yl-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one?
The InChIKey is UIUTTYQUDSGKJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN4O2/c21-17-4-2-1-3-16(17)14-25-15-20(27-12-5-19(25)26)6-10-24(11-7-20)18-13-22-8-9-23-18/h1-4,8-9,13H,5-7,10-12,14-15H2.
What are the key properties of 11-[(2-fluorophenyl)methyl]-3-pyrazin-2-yl-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one?
11-[(2-fluorophenyl)methyl]-3-pyrazin-2-yl-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one has a molecular weight of 370.43 g/mol, XLogP of 2.40, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[(2-fluorophenyl)methyl]-3-pyrazin-2-yl-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one is sourced from PubChem (CID 155509203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).