[2-(5-fluoropyrimidin-2-yl)-2,7-diazaspiro[4.5]decan-7-yl]-pyrazin-2-ylmethanone

C17H19FN6O — CID 155902663

IUPAC[2-(5-fluoropyrimidin-2-yl)-2,7-diazaspiro[4.5]decan-7-yl]-pyrazin-2-ylmethanone
SMILESO=C(c1cnccn1)N1CCCC2(CCN(c3ncc(F)cn3)C2)C1
InChIInChI=1S/C17H19FN6O/c18-13-8-21-16(22-9-13)24-7-3-17(12-24)2-1-6-23(11-17)15(25)14-10-19-4-5-20-14/h4-5,8-10H,1-3,6-7,11-12H2
InChIKeyMKZYHIWIOMZLIM-UHFFFAOYSA-N
MW342.38 g/mol
LogP1.54
Rot. Bonds2

About [2-(5-fluoropyrimidin-2-yl)-2,7-diazaspiro[4.5]decan-7-yl]-pyrazin-2-ylmethanone

[2-(5-fluoropyrimidin-2-yl)-2,7-diazaspiro[4.5]decan-7-yl]-pyrazin-2-ylmethanone (PubChem CID 155902663) has the molecular formula C17H19FN6O and a molecular weight of 342.38 g/mol. Its IUPAC name is [2-(5-fluoropyrimidin-2-yl)-2,7-diazaspiro[4.5]decan-7-yl]-pyrazin-2-ylmethanone.

Molecular Properties

Compound Name[2-(5-fluoropyrimidin-2-yl)-2,7-diazaspiro[4.5]decan-7-yl]-pyrazin-2-ylmethanone
PubChem CID155902663
Molecular FormulaC17H19FN6O
Molecular Weight342.38 g/mol
Exact Mass342.16
IUPAC Name[2-(5-fluoropyrimidin-2-yl)-2,7-diazaspiro[4.5]decan-7-yl]-pyrazin-2-ylmethanone
SMILESO=C(c1cnccn1)N1CCCC2(CCN(c3ncc(F)cn3)C2)C1
InChIInChI=1S/C17H19FN6O/c18-13-8-21-16(22-9-13)24-7-3-17(12-24)2-1-6-23(11-17)15(25)14-10-19-4-5-20-14/h4-5,8-10H,1-3,6-7,11-12H2
InChIKeyMKZYHIWIOMZLIM-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 [2-(5-fluoropyrimidin-2-yl)-2,7-diazaspiro[4.5]decan-7-yl]-pyrazin-2-ylmethanone with MolForge

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Related Compounds

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 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
2-Ethyl-9-(imidazo[1,2-a]pyrimidin-2-ylcarbonyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72873354
Pyrazin-2-yl-(2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl)methanone
CID 78312664
(9-Methyl-2,9-diazaspiro[5.5]undecan-2-yl)-(3-methylimidazol-4-yl)methanone
CID 95042801

Frequently Asked Questions

What is the IUPAC name of [2-(5-fluoropyrimidin-2-yl)-2,7-diazaspiro[4.5]decan-7-yl]-pyrazin-2-ylmethanone?
The IUPAC name of [2-(5-fluoropyrimidin-2-yl)-2,7-diazaspiro[4.5]decan-7-yl]-pyrazin-2-ylmethanone (CID 155902663) is [2-(5-fluoropyrimidin-2-yl)-2,7-diazaspiro[4.5]decan-7-yl]-pyrazin-2-ylmethanone.
What is the SMILES notation for [2-(5-fluoropyrimidin-2-yl)-2,7-diazaspiro[4.5]decan-7-yl]-pyrazin-2-ylmethanone?
The canonical SMILES for [2-(5-fluoropyrimidin-2-yl)-2,7-diazaspiro[4.5]decan-7-yl]-pyrazin-2-ylmethanone is O=C(c1cnccn1)N1CCCC2(CCN(c3ncc(F)cn3)C2)C1.
What is the InChIKey of [2-(5-fluoropyrimidin-2-yl)-2,7-diazaspiro[4.5]decan-7-yl]-pyrazin-2-ylmethanone?
The InChIKey is MKZYHIWIOMZLIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN6O/c18-13-8-21-16(22-9-13)24-7-3-17(12-24)2-1-6-23(11-17)15(25)14-10-19-4-5-20-14/h4-5,8-10H,1-3,6-7,11-12H2.
What are the key properties of [2-(5-fluoropyrimidin-2-yl)-2,7-diazaspiro[4.5]decan-7-yl]-pyrazin-2-ylmethanone?
[2-(5-fluoropyrimidin-2-yl)-2,7-diazaspiro[4.5]decan-7-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 [2-(5-fluoropyrimidin-2-yl)-2,7-diazaspiro[4.5]decan-7-yl]-pyrazin-2-ylmethanone is sourced from PubChem (CID 155902663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).