[(6S)-8-(5-fluoropyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-pyrazin-2-ylmethanone

C17H19FN6O2 — CID 97396527

IUPAC[(6S)-8-(5-fluoropyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-pyrazin-2-ylmethanone
SMILESO=C(c1cnccn1)N1CCO[C@]2(CCCN(c3ncc(F)cn3)C2)C1
InChIInChI=1S/C17H19FN6O2/c18-13-8-21-16(22-9-13)24-5-1-2-17(12-24)11-23(6-7-26-17)15(25)14-10-19-3-4-20-14/h3-4,8-10H,1-2,5-7,11-12H2/t17-/m1/s1
InChIKeyAYSQLDNWSGMVII-QGZVFWFLSA-N
MW358.38 g/mol
LogP0.92
Rot. Bonds2

About [(6S)-8-(5-fluoropyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-pyrazin-2-ylmethanone

[(6S)-8-(5-fluoropyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-pyrazin-2-ylmethanone (PubChem CID 97396527) has the molecular formula C17H19FN6O2 and a molecular weight of 358.38 g/mol. Its IUPAC name is [(6S)-8-(5-fluoropyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-pyrazin-2-ylmethanone.

Molecular Properties

Compound Name[(6S)-8-(5-fluoropyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-pyrazin-2-ylmethanone
PubChem CID97396527
Molecular FormulaC17H19FN6O2
Molecular Weight358.38 g/mol
Exact Mass358.16
IUPAC Name[(6S)-8-(5-fluoropyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-pyrazin-2-ylmethanone
SMILESO=C(c1cnccn1)N1CCO[C@]2(CCCN(c3ncc(F)cn3)C2)C1
InChIInChI=1S/C17H19FN6O2/c18-13-8-21-16(22-9-13)24-5-1-2-17(12-24)11-23(6-7-26-17)15(25)14-10-19-3-4-20-14/h3-4,8-10H,1-2,5-7,11-12H2/t17-/m1/s1
InChIKeyAYSQLDNWSGMVII-QGZVFWFLSA-N
XLogP0.92
TPSA84.34 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.38
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

Pyrazin-2-yl(9-(pyrimidin-2-yl)-3,9-diazaspiro[5.5]undecan-3-yl)methanone
CID 3234174
Pyrazin-2-yl-(2-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)methanone
CID 3232961
[(5aR,9aS)-4-pyrimidin-2-yl-2,3,5,5a,6,7,9,9a-octahydropyrido[4,3-f][1,4]oxazepin-8-yl]-(5-methylpyrazin-2-yl)methanone
CID 97403408
[2-(5-Fluoropyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-8-yl]-pyrazin-2-ylmethanone
CID 97449628
[4-(5-Fluoropyrimidin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-pyrazin-2-ylmethanone
CID 97451023
[2-(5-Fluoropyrimidin-2-yl)-2,7-diazaspiro[4.5]decan-7-yl]-pyrazin-2-ylmethanone
CID 155902663
[(6R)-8-(5-fluoropyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-pyrazin-2-ylmethanone
CID 97396528
[8-(5-Fluoropyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-2-yl]-pyrazin-2-ylmethanone
CID 97449482
[9-(5-Fluoropyrimidin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-pyrazin-2-ylmethanone
CID 97450915
[(4aR,7aS)-4-(5-fluoropyrimidin-2-yl)-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-(5-methylpyrazin-2-yl)methanone
CID 97510724
(3-((5-Fluoropyrimidin-2-yl)oxy)pyrrolidin-1-yl)(pyrazin-2-yl)methanone
CID 119100402
(3-((5-Fluoropyrimidin-2-yl)oxy)piperidin-1-yl)(pyrazin-2-yl)methanone
CID 122258433

Frequently Asked Questions

What is the IUPAC name of [(6S)-8-(5-fluoropyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-pyrazin-2-ylmethanone?
The IUPAC name of [(6S)-8-(5-fluoropyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-pyrazin-2-ylmethanone (CID 97396527) is [(6S)-8-(5-fluoropyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-pyrazin-2-ylmethanone.
What is the SMILES notation for [(6S)-8-(5-fluoropyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-pyrazin-2-ylmethanone?
The canonical SMILES for [(6S)-8-(5-fluoropyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-pyrazin-2-ylmethanone is O=C(c1cnccn1)N1CCO[C@]2(CCCN(c3ncc(F)cn3)C2)C1.
What is the InChIKey of [(6S)-8-(5-fluoropyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-pyrazin-2-ylmethanone?
The InChIKey is AYSQLDNWSGMVII-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H19FN6O2/c18-13-8-21-16(22-9-13)24-5-1-2-17(12-24)11-23(6-7-26-17)15(25)14-10-19-3-4-20-14/h3-4,8-10H,1-2,5-7,11-12H2/t17-/m1/s1.
What are the key properties of [(6S)-8-(5-fluoropyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-pyrazin-2-ylmethanone?
[(6S)-8-(5-fluoropyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-pyrazin-2-ylmethanone has a molecular weight of 358.38 g/mol, XLogP of 0.92, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(6S)-8-(5-fluoropyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-pyrazin-2-ylmethanone is sourced from PubChem (CID 97396527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).