[8-(5-fluoropyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-2-yl]-thiophen-3-ylmethanone

C17H19FN4OS — CID 97449449

IUPAC[8-(5-fluoropyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-2-yl]-thiophen-3-ylmethanone
SMILESO=C(c1ccsc1)N1CCC2(CCN(c3ncc(F)cn3)CC2)C1
InChIInChI=1S/C17H19FN4OS/c18-14-9-19-16(20-10-14)21-5-2-17(3-6-21)4-7-22(12-17)15(23)13-1-8-24-11-13/h1,8-11H,2-7,12H2
InChIKeyGBEHIVZARZAWFD-UHFFFAOYSA-N
MW346.43 g/mol
LogP2.81
Rot. Bonds2

About [8-(5-fluoropyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-2-yl]-thiophen-3-ylmethanone

[8-(5-fluoropyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-2-yl]-thiophen-3-ylmethanone (PubChem CID 97449449) has the molecular formula C17H19FN4OS and a molecular weight of 346.43 g/mol. Its IUPAC name is [8-(5-fluoropyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-2-yl]-thiophen-3-ylmethanone.

Molecular Properties

Compound Name[8-(5-fluoropyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-2-yl]-thiophen-3-ylmethanone
PubChem CID97449449
Molecular FormulaC17H19FN4OS
Molecular Weight346.43 g/mol
Exact Mass346.13
IUPAC Name[8-(5-fluoropyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-2-yl]-thiophen-3-ylmethanone
SMILESO=C(c1ccsc1)N1CCC2(CCN(c3ncc(F)cn3)CC2)C1
InChIInChI=1S/C17H19FN4OS/c18-14-9-19-16(20-10-14)21-5-2-17(3-6-21)4-7-22(12-17)15(23)13-1-8-24-11-13/h1,8-11H,2-7,12H2
InChIKeyGBEHIVZARZAWFD-UHFFFAOYSA-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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Related Compounds

[7-(5-methylpyrimidin-2-yl)-2,7-diazaspiro[3.4]octan-2-yl]-thiophen-3-ylmethanone
CID 97472794
[2-(5-methylpyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-8-yl]-thiophen-3-ylmethanone;2,2,2-trifluoroacetic acid
CID 155839257
[(5S)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]-thiophen-3-ylmethanone
CID 97450078
[(3aR,6aS)-2-(5-fluoropyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-thiophen-3-ylmethanone
CID 97453113
[2-(1,3-thiazole-4-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl]-thiophen-3-ylmethanone
CID 97369944
(3-fluorophenyl)-(8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-2-yl)methanone
CID 97385423
tert-butyl 8-(5-fluoropyrimidin-2-yl)-2,8-diazaspiro[4.5]decane-2-carboxylate
CID 156821670
(9-methyl-2,9-diazaspiro[4.5]decan-2-yl)-thiophen-3-ylmethanone;2,2,2-trifluoroacetic acid
CID 155856040
(2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl)-thiophen-3-ylmethanone
CID 131642549
[8-(5-ethylpyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-2-yl]-(1,3-thiazol-4-yl)methanone
CID 97449455
(4-fluorophenyl)-[4-(thiophene-3-carbonyl)piperazin-1-yl]methanone
CID 36507181
9-(5-fluoropyrimidin-2-yl)-4-thiophen-3-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 97385661

Frequently Asked Questions

What is the IUPAC name of [8-(5-fluoropyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-2-yl]-thiophen-3-ylmethanone?
The IUPAC name of [8-(5-fluoropyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-2-yl]-thiophen-3-ylmethanone (CID 97449449) is [8-(5-fluoropyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-2-yl]-thiophen-3-ylmethanone.
What is the SMILES notation for [8-(5-fluoropyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-2-yl]-thiophen-3-ylmethanone?
The canonical SMILES for [8-(5-fluoropyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-2-yl]-thiophen-3-ylmethanone is O=C(c1ccsc1)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]-thiophen-3-ylmethanone?
The InChIKey is GBEHIVZARZAWFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4OS/c18-14-9-19-16(20-10-14)21-5-2-17(3-6-21)4-7-22(12-17)15(23)13-1-8-24-11-13/h1,8-11H,2-7,12H2.
What are the key properties of [8-(5-fluoropyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-2-yl]-thiophen-3-ylmethanone?
[8-(5-fluoropyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-2-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 [8-(5-fluoropyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-2-yl]-thiophen-3-ylmethanone is sourced from PubChem (CID 97449449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).