[(6R)-8-(3-fluoro-2-pyridinyl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-pyrazin-2-ylmethanone

C18H20FN5O2 — CID 97492101

IUPAC[(6R)-8-(3-fluoro-2-pyridinyl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-pyrazin-2-ylmethanone
SMILESO=C(c1cnccn1)N1CCO[C@@]2(CCCN(c3ncccc3F)C2)C1
InChIInChI=1S/C18H20FN5O2/c19-14-3-1-5-22-16(14)23-8-2-4-18(12-23)13-24(9-10-26-18)17(25)15-11-20-6-7-21-15/h1,3,5-7,11H,2,4,8-10,12-13H2/t18-/m1/s1
InChIKeyMWKGENUTDCQSKU-GOSISDBHSA-N
MW357.39 g/mol
LogP1.52
Rot. Bonds2

About [(6R)-8-(3-fluoro-2-pyridinyl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-pyrazin-2-ylmethanone

[(6R)-8-(3-fluoro-2-pyridinyl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-pyrazin-2-ylmethanone (PubChem CID 97492101) has the molecular formula C18H20FN5O2 and a molecular weight of 357.39 g/mol. Its IUPAC name is [(6R)-8-(3-fluoro-2-pyridinyl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-pyrazin-2-ylmethanone.

Molecular Properties

Compound Name[(6R)-8-(3-fluoro-2-pyridinyl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-pyrazin-2-ylmethanone
PubChem CID97492101
Molecular FormulaC18H20FN5O2
Molecular Weight357.39 g/mol
Exact Mass357.16
IUPAC Name[(6R)-8-(3-fluoro-2-pyridinyl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-pyrazin-2-ylmethanone
SMILESO=C(c1cnccn1)N1CCO[C@@]2(CCCN(c3ncccc3F)C2)C1
InChIInChI=1S/C18H20FN5O2/c19-14-3-1-5-22-16(14)23-8-2-4-18(12-23)13-24(9-10-26-18)17(25)15-11-20-6-7-21-15/h1,3,5-7,11H,2,4,8-10,12-13H2/t18-/m1/s1
InChIKeyMWKGENUTDCQSKU-GOSISDBHSA-N
XLogP1.52
TPSA71.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.39
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(6R)-8-(3-fluoro-2-pyridinyl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-pyrazin-2-ylmethanone with MolForge

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Launch Full Analysis

Related Compounds

pyrazin-2-yl-(8-pyrimidin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl)methanone
CID 131662756
[(6S)-8-(3-fluoro-2-pyridinyl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-(1H-pyrrol-2-yl)methanone
CID 97492105
pyrazin-2-yl-(8-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl)methanone
CID 131639207
(6S)-8-(3-fluoro-2-pyridinyl)-4-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane
CID 97396446
(6R)-8-(3-fluoro-2-pyridinyl)-N-propan-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane-4-carboxamide
CID 97492112
pyrazin-2-yl-[8-(1,3-thiazol-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]methanone
CID 134072513
(6R)-8-(3-fluoro-2-pyridinyl)-4-pyridin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane
CID 97396447
(6-methyl-2-pyridinyl)-[(6S)-8-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]methanone
CID 97372447
[(3R,5R)-3-(2-fluorophenoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrazin-2-ylmethanone
CID 110141838
(8-pyrimidin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl)-(thiadiazol-4-yl)methanone
CID 134074050
(6S)-8-(3-fluoro-2-pyridinyl)-4-[(3-methylimidazol-4-yl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecane
CID 97492090
(6R)-8-(3-fluoro-2-pyridinyl)-4-[(3-methylimidazol-4-yl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecane
CID 97492089

Frequently Asked Questions

What is the IUPAC name of [(6R)-8-(3-fluoro-2-pyridinyl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-pyrazin-2-ylmethanone?
The IUPAC name of [(6R)-8-(3-fluoro-2-pyridinyl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-pyrazin-2-ylmethanone (CID 97492101) is [(6R)-8-(3-fluoro-2-pyridinyl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-pyrazin-2-ylmethanone.
What is the SMILES notation for [(6R)-8-(3-fluoro-2-pyridinyl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-pyrazin-2-ylmethanone?
The canonical SMILES for [(6R)-8-(3-fluoro-2-pyridinyl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-pyrazin-2-ylmethanone is O=C(c1cnccn1)N1CCO[C@@]2(CCCN(c3ncccc3F)C2)C1.
What is the InChIKey of [(6R)-8-(3-fluoro-2-pyridinyl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-pyrazin-2-ylmethanone?
The InChIKey is MWKGENUTDCQSKU-GOSISDBHSA-N. The full InChI is InChI=1S/C18H20FN5O2/c19-14-3-1-5-22-16(14)23-8-2-4-18(12-23)13-24(9-10-26-18)17(25)15-11-20-6-7-21-15/h1,3,5-7,11H,2,4,8-10,12-13H2/t18-/m1/s1.
What are the key properties of [(6R)-8-(3-fluoro-2-pyridinyl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-pyrazin-2-ylmethanone?
[(6R)-8-(3-fluoro-2-pyridinyl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-pyrazin-2-ylmethanone has a molecular weight of 357.39 g/mol, XLogP of 1.52, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(6R)-8-(3-fluoro-2-pyridinyl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-pyrazin-2-ylmethanone is sourced from PubChem (CID 97492101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).