[8-(5-fluoropyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-2-yl]-pyrazin-2-ylmethanone

C17H19FN6O — CID 97449482

IUPAC[8-(5-fluoropyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-2-yl]-pyrazin-2-ylmethanone
SMILESO=C(c1cnccn1)N1CCC2(CCN(c3ncc(F)cn3)CC2)C1
InChIInChI=1S/C17H19FN6O/c18-13-9-21-16(22-10-13)23-6-1-17(2-7-23)3-8-24(12-17)15(25)14-11-19-4-5-20-14/h4-5,9-11H,1-3,6-8,12H2
InChIKeyGECODUWJBUFCRU-UHFFFAOYSA-N
MW342.38 g/mol
LogP1.54
Rot. Bonds2

About [8-(5-fluoropyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-2-yl]-pyrazin-2-ylmethanone

[8-(5-fluoropyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-2-yl]-pyrazin-2-ylmethanone (PubChem CID 97449482) has the molecular formula C17H19FN6O and a molecular weight of 342.38 g/mol. Its IUPAC name is [8-(5-fluoropyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-2-yl]-pyrazin-2-ylmethanone.

Molecular Properties

Compound Name[8-(5-fluoropyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-2-yl]-pyrazin-2-ylmethanone
PubChem CID97449482
Molecular FormulaC17H19FN6O
Molecular Weight342.38 g/mol
Exact Mass342.16
IUPAC Name[8-(5-fluoropyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-2-yl]-pyrazin-2-ylmethanone
SMILESO=C(c1cnccn1)N1CCC2(CCN(c3ncc(F)cn3)CC2)C1
InChIInChI=1S/C17H19FN6O/c18-13-9-21-16(22-10-13)23-6-1-17(2-7-23)3-8-24(12-17)15(25)14-11-19-4-5-20-14/h4-5,9-11H,1-3,6-8,12H2
InChIKeyGECODUWJBUFCRU-UHFFFAOYSA-N
XLogP1.54
TPSA75.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.38
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [8-(5-fluoropyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-2-yl]-pyrazin-2-ylmethanone with MolForge

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Related Compounds

Vanin-1-IN-1
CID 134177597
US10906888, Example 116
CID 139580304
US10906888, Example 110
CID 139580371
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-2,7-diazaspiro[3.5]nonan-7-yl)methanone
CID 3234891
US10906888, Example 128
CID 134177596
US10906888, Example 112
CID 134177719
US10906888, Example 129
CID 139580392
Pyrazin-2-yl-(2-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)methanone
CID 3232961
pyrazin-2-yl-[(5S)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]methanone
CID 3235354
N-{[1-(pyrimidin-2-yl)piperidin-4-yl]methyl}pyrazine-2-carboxamide
CID 49687691
8-(Imidazo[1,2-a]pyrimidin-2-ylcarbonyl)-2-methyl-2,8-diazaspiro[4.5]decan-3-one
CID 70733536

Frequently Asked Questions

What is the IUPAC name of [8-(5-fluoropyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-2-yl]-pyrazin-2-ylmethanone?
The IUPAC name of [8-(5-fluoropyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-2-yl]-pyrazin-2-ylmethanone (CID 97449482) is [8-(5-fluoropyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-2-yl]-pyrazin-2-ylmethanone.
What is the SMILES notation for [8-(5-fluoropyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-2-yl]-pyrazin-2-ylmethanone?
The canonical SMILES for [8-(5-fluoropyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-2-yl]-pyrazin-2-ylmethanone is O=C(c1cnccn1)N1CCC2(CCN(c3ncc(F)cn3)CC2)C1.
What is the InChIKey of [8-(5-fluoropyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-2-yl]-pyrazin-2-ylmethanone?
The InChIKey is GECODUWJBUFCRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN6O/c18-13-9-21-16(22-10-13)23-6-1-17(2-7-23)3-8-24(12-17)15(25)14-11-19-4-5-20-14/h4-5,9-11H,1-3,6-8,12H2.
What are the key properties of [8-(5-fluoropyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-2-yl]-pyrazin-2-ylmethanone?
[8-(5-fluoropyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-2-yl]-pyrazin-2-ylmethanone has a molecular weight of 342.38 g/mol, XLogP of 1.54, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [8-(5-fluoropyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-2-yl]-pyrazin-2-ylmethanone is sourced from PubChem (CID 97449482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).