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

C17H19FN4OS — CID 97449613

IUPAC[2-(5-fluoropyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-8-yl]-thiophen-3-ylmethanone
SMILESO=C(c1ccsc1)N1CCC2(CC1)CCN(c1ncc(F)cn1)C2
InChIInChI=1S/C17H19FN4OS/c18-14-9-19-16(20-10-14)22-7-4-17(12-22)2-5-21(6-3-17)15(23)13-1-8-24-11-13/h1,8-11H,2-7,12H2
InChIKeyWPOGNRBPFCOXDN-UHFFFAOYSA-N
MW346.43 g/mol
LogP2.81
Rot. Bonds2

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

[2-(5-fluoropyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-8-yl]-thiophen-3-ylmethanone (PubChem CID 97449613) has the molecular formula C17H19FN4OS and a molecular weight of 346.43 g/mol. Its IUPAC name is [2-(5-fluoropyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-8-yl]-thiophen-3-ylmethanone.

Molecular Properties

Compound Name[2-(5-fluoropyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-8-yl]-thiophen-3-ylmethanone
PubChem CID97449613
Molecular FormulaC17H19FN4OS
Molecular Weight346.43 g/mol
Exact Mass346.13
IUPAC Name[2-(5-fluoropyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-8-yl]-thiophen-3-ylmethanone
SMILESO=C(c1ccsc1)N1CCC2(CC1)CCN(c1ncc(F)cn1)C2
InChIInChI=1S/C17H19FN4OS/c18-14-9-19-16(20-10-14)22-7-4-17(12-22)2-5-21(6-3-17)15(23)13-1-8-24-11-13/h1,8-11H,2-7,12H2
InChIKeyWPOGNRBPFCOXDN-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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Frequently Asked Questions

What is the IUPAC name of [2-(5-fluoropyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-8-yl]-thiophen-3-ylmethanone?
The IUPAC name of [2-(5-fluoropyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-8-yl]-thiophen-3-ylmethanone (CID 97449613) is [2-(5-fluoropyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-8-yl]-thiophen-3-ylmethanone.
What is the SMILES notation for [2-(5-fluoropyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-8-yl]-thiophen-3-ylmethanone?
The canonical SMILES for [2-(5-fluoropyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-8-yl]-thiophen-3-ylmethanone is O=C(c1ccsc1)N1CCC2(CC1)CCN(c1ncc(F)cn1)C2.
What is the InChIKey of [2-(5-fluoropyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-8-yl]-thiophen-3-ylmethanone?
The InChIKey is WPOGNRBPFCOXDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4OS/c18-14-9-19-16(20-10-14)22-7-4-17(12-22)2-5-21(6-3-17)15(23)13-1-8-24-11-13/h1,8-11H,2-7,12H2.
What are the key properties of [2-(5-fluoropyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-8-yl]-thiophen-3-ylmethanone?
[2-(5-fluoropyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-8-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 [2-(5-fluoropyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-8-yl]-thiophen-3-ylmethanone is sourced from PubChem (CID 97449613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).