[(5S)-2-(5-fluoropyrimidin-2-yl)-2,7-diazaspiro[4.5]decan-7-yl]-thiophen-3-ylmethanone

C17H19FN4OS — CID 97450080

IUPAC[(5S)-2-(5-fluoropyrimidin-2-yl)-2,7-diazaspiro[4.5]decan-7-yl]-thiophen-3-ylmethanone
SMILESO=C(c1ccsc1)N1CCC[C@@]2(CCN(c3ncc(F)cn3)C2)C1
InChIInChI=1S/C17H19FN4OS/c18-14-8-19-16(20-9-14)22-6-4-17(12-22)3-1-5-21(11-17)15(23)13-2-7-24-10-13/h2,7-10H,1,3-6,11-12H2/t17-/m1/s1
InChIKeyFPPLIKBCSQITFN-QGZVFWFLSA-N
MW346.43 g/mol
LogP2.81
Rot. Bonds2

About [(5S)-2-(5-fluoropyrimidin-2-yl)-2,7-diazaspiro[4.5]decan-7-yl]-thiophen-3-ylmethanone

[(5S)-2-(5-fluoropyrimidin-2-yl)-2,7-diazaspiro[4.5]decan-7-yl]-thiophen-3-ylmethanone (PubChem CID 97450080) has the molecular formula C17H19FN4OS and a molecular weight of 346.43 g/mol. Its IUPAC name is [(5S)-2-(5-fluoropyrimidin-2-yl)-2,7-diazaspiro[4.5]decan-7-yl]-thiophen-3-ylmethanone.

Molecular Properties

Compound Name[(5S)-2-(5-fluoropyrimidin-2-yl)-2,7-diazaspiro[4.5]decan-7-yl]-thiophen-3-ylmethanone
PubChem CID97450080
Molecular FormulaC17H19FN4OS
Molecular Weight346.43 g/mol
Exact Mass346.13
IUPAC Name[(5S)-2-(5-fluoropyrimidin-2-yl)-2,7-diazaspiro[4.5]decan-7-yl]-thiophen-3-ylmethanone
SMILESO=C(c1ccsc1)N1CCC[C@@]2(CCN(c3ncc(F)cn3)C2)C1
InChIInChI=1S/C17H19FN4OS/c18-14-8-19-16(20-9-14)22-6-4-17(12-22)3-1-5-21(11-17)15(23)13-2-7-24-10-13/h2,7-10H,1,3-6,11-12H2/t17-/m1/s1
InChIKeyFPPLIKBCSQITFN-QGZVFWFLSA-N
XLogP2.81
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(5S)-2-(5-fluoropyrimidin-2-yl)-2,7-diazaspiro[4.5]decan-7-yl]-thiophen-3-ylmethanone?
The IUPAC name of [(5S)-2-(5-fluoropyrimidin-2-yl)-2,7-diazaspiro[4.5]decan-7-yl]-thiophen-3-ylmethanone (CID 97450080) is [(5S)-2-(5-fluoropyrimidin-2-yl)-2,7-diazaspiro[4.5]decan-7-yl]-thiophen-3-ylmethanone.
What is the SMILES notation for [(5S)-2-(5-fluoropyrimidin-2-yl)-2,7-diazaspiro[4.5]decan-7-yl]-thiophen-3-ylmethanone?
The canonical SMILES for [(5S)-2-(5-fluoropyrimidin-2-yl)-2,7-diazaspiro[4.5]decan-7-yl]-thiophen-3-ylmethanone is O=C(c1ccsc1)N1CCC[C@@]2(CCN(c3ncc(F)cn3)C2)C1.
What is the InChIKey of [(5S)-2-(5-fluoropyrimidin-2-yl)-2,7-diazaspiro[4.5]decan-7-yl]-thiophen-3-ylmethanone?
The InChIKey is FPPLIKBCSQITFN-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H19FN4OS/c18-14-8-19-16(20-9-14)22-6-4-17(12-22)3-1-5-21(11-17)15(23)13-2-7-24-10-13/h2,7-10H,1,3-6,11-12H2/t17-/m1/s1.
What are the key properties of [(5S)-2-(5-fluoropyrimidin-2-yl)-2,7-diazaspiro[4.5]decan-7-yl]-thiophen-3-ylmethanone?
[(5S)-2-(5-fluoropyrimidin-2-yl)-2,7-diazaspiro[4.5]decan-7-yl]-thiophen-3-ylmethanone has a molecular weight of 346.43 g/mol, XLogP of 2.81, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(5S)-2-(5-fluoropyrimidin-2-yl)-2,7-diazaspiro[4.5]decan-7-yl]-thiophen-3-ylmethanone is sourced from PubChem (CID 97450080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).